N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide

C25H33N7O2 — CID 166549981

IUPACN-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
SMILESCOCCNC(=O)c1ncc(C(C)C)c2cc(Nc3ccnc(N4CCCC(C)C4)n3)ncc12
InChIInChI=1S/C25H33N7O2/c1-16(2)19-13-29-23(24(33)26-9-11-34-4)20-14-28-22(12-18(19)20)30-21-7-8-27-25(31-21)32-10-5-6-17(3)15-32/h7-8,12-14,16-17H,5-6,9-11,15H2,1-4H3,(H,26,33)(H,27,28,30,31)
InChIKeyMTELXVOSGZDXGY-UHFFFAOYSA-N
MW463.59 g/mol
LogP3.90
Rot. Bonds8

About N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide

N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide (PubChem CID 166549981) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
PubChem CID166549981
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC NameN-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
SMILESCOCCNC(=O)c1ncc(C(C)C)c2cc(Nc3ccnc(N4CCCC(C)C4)n3)ncc12
InChIInChI=1S/C25H33N7O2/c1-16(2)19-13-29-23(24(33)26-9-11-34-4)20-14-28-22(12-18(19)20)30-21-7-8-27-25(31-21)32-10-5-6-17(3)15-32/h7-8,12-14,16-17H,5-6,9-11,15H2,1-4H3,(H,26,33)(H,27,28,30,31)
InChIKeyMTELXVOSGZDXGY-UHFFFAOYSA-N
XLogP3.90
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine
CID 167269911
8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 166546899
6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
CID 166549979
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-(3-methylazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 156550602
N-[3-[3-[[2-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-5-propan-2-ylisoquinolin-8-yl]oxypropyl]acetamide
CID 166549902
methanethiol;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-(3-methylazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 156802118
N-[(1R)-1-amino-2-fluoroethyl]-6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
CID 166550039
6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
CID 166549849
2-[(3R,4S)-4-methoxy-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-3-yl]oxyethanol
CID 166546709
2-[(3S,4R)-4-methoxy-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-3-yl]oxyethanol
CID 166546996
(3R,4S)-3-fluoro-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 166546956
1-[3-[(1R)-1-[[6-[[2-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]oxy]ethyl]azetidin-1-yl]ethanone
CID 166550063

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide (CID 166549981) is N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide is COCCNC(=O)c1ncc(C(C)C)c2cc(Nc3ccnc(N4CCCC(C)C4)n3)ncc12.
What is the InChIKey of N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide?
The InChIKey is MTELXVOSGZDXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-16(2)19-13-29-23(24(33)26-9-11-34-4)20-14-28-22(12-18(19)20)30-21-7-8-27-25(31-21)32-10-5-6-17(3)15-32/h7-8,12-14,16-17H,5-6,9-11,15H2,1-4H3,(H,26,33)(H,27,28,30,31).
What are the key properties of N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide?
N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide is sourced from PubChem (CID 166549981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).