N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide

C30H29N9O5S — CID 176666927

IUPACN-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCc2cc3nc(-c4ccnc(N5CCC6(NC(=O)NC6=O)C6(CC6)C5)n4)ccc3cn2)cc1S(C)(=O)=O
InChIInChI=1S/C30H29N9O5S/c1-17-24(45(2,43)44)11-19(14-32-17)25(40)34-15-20-12-23-18(13-33-20)3-4-21(35-23)22-5-9-31-27(36-22)39-10-8-30(29(16-39)6-7-29)26(41)37-28(42)38-30/h3-5,9,11-14H,6-8,10,15-16H2,1-2H3,(H,34,40)(H2,37,38,41,42)
InChIKeyABFWGHKOXBFABN-UHFFFAOYSA-N
MW627.69 g/mol
LogP1.69
Rot. Bonds6

About N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide

N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide (PubChem CID 176666927) has the molecular formula C30H29N9O5S and a molecular weight of 627.69 g/mol. Its IUPAC name is N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide
PubChem CID176666927
Molecular FormulaC30H29N9O5S
Molecular Weight627.69 g/mol
Exact Mass627.20
IUPAC NameN-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCc2cc3nc(-c4ccnc(N5CCC6(NC(=O)NC6=O)C6(CC6)C5)n4)ccc3cn2)cc1S(C)(=O)=O
InChIInChI=1S/C30H29N9O5S/c1-17-24(45(2,43)44)11-19(14-32-17)25(40)34-15-20-12-23-18(13-33-20)3-4-21(35-23)22-5-9-31-27(36-22)39-10-8-30(29(16-39)6-7-29)26(41)37-28(42)38-30/h3-5,9,11-14H,6-8,10,15-16H2,1-2H3,(H,34,40)(H2,37,38,41,42)
InChIKeyABFWGHKOXBFABN-UHFFFAOYSA-N
XLogP1.69
TPSA189.13 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.69
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide with MolForge

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Related Compounds

6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666598
6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide
CID 176666852
N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666755
N-[[2-[6-(1,1-dioxo-1,3-thiazinan-3-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665279
3-(difluoromethylsulfonimidoyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665645
4-methyl-3-methylsulfonyl-N-[[2-[6-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665280
N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666832
(4R)-4-cyano-4-methyl-N-[[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
CID 168723485
3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen
CID 176665872
N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide;molecular hydrogen
CID 176665222
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
CID 176666909
3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen
CID 176666569

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide (CID 176666927) is N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide is Cc1ncc(C(=O)NCc2cc3nc(-c4ccnc(N5CCC6(NC(=O)NC6=O)C6(CC6)C5)n4)ccc3cn2)cc1S(C)(=O)=O.
What is the InChIKey of N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide?
The InChIKey is ABFWGHKOXBFABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N9O5S/c1-17-24(45(2,43)44)11-19(14-32-17)25(40)34-15-20-12-23-18(13-33-20)3-4-21(35-23)22-5-9-31-27(36-22)39-10-8-30(29(16-39)6-7-29)26(41)37-28(42)38-30/h3-5,9,11-14H,6-8,10,15-16H2,1-2H3,(H,34,40)(H2,37,38,41,42).
What are the key properties of N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide?
N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide has a molecular weight of 627.69 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 176666927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).