N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide

C19H23N5O — CID 98895243

IUPACN-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide
SMILESCc1ncc(CN2CCC3(CC(NC(=O)c4cccnc4)C3)C2)cn1
InChIInChI=1S/C19H23N5O/c1-14-21-9-15(10-22-14)12-24-6-4-19(13-24)7-17(8-19)23-18(25)16-3-2-5-20-11-16/h2-3,5,9-11,17H,4,6-8,12-13H2,1H3,(H,23,25)
InChIKeyABEAMAADCDQVCW-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.96
Rot. Bonds4

About N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide

N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide (PubChem CID 98895243) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide
PubChem CID98895243
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide
SMILESCc1ncc(CN2CCC3(CC(NC(=O)c4cccnc4)C3)C2)cn1
InChIInChI=1S/C19H23N5O/c1-14-21-9-15(10-22-14)12-24-6-4-19(13-24)7-17(8-19)23-18(25)16-3-2-5-20-11-16/h2-3,5,9-11,17H,4,6-8,12-13H2,1H3,(H,23,25)
InChIKeyABEAMAADCDQVCW-UHFFFAOYSA-N
XLogP1.96
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine
CID 98894753
N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476036
N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide
CID 98894337
N-[(5R,9S)-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476031
1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
CID 98895536
N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 124780444
N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide
CID 98897312
N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155854554
[7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 97472688
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[7-[(2-methylpyrimidin-5-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98895376
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide (CID 98895243) is N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide is Cc1ncc(CN2CCC3(CC(NC(=O)c4cccnc4)C3)C2)cn1.
What is the InChIKey of N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide?
The InChIKey is ABEAMAADCDQVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-21-9-15(10-22-14)12-24-6-4-19(13-24)7-17(8-19)23-18(25)16-3-2-5-20-11-16/h2-3,5,9-11,17H,4,6-8,12-13H2,1H3,(H,23,25).
What are the key properties of N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide?
N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 98895243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).