1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide

C20H26N4O — CID 97374960

IUPAC1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@H]2CCC23CCN(Cc2ccccn2)CC3)c1
InChIInChI=1S/C20H26N4O/c1-23-11-6-16(14-23)19(25)22-18-5-7-20(18)8-12-24(13-9-20)15-17-4-2-3-10-21-17/h2-4,6,10-11,14,18H,5,7-9,12-13,15H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyGIRWBRRBESUHSE-SFHVURJKSA-N
MW338.45 g/mol
LogP2.59
Rot. Bonds4

About 1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide

1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide (PubChem CID 97374960) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
PubChem CID97374960
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@H]2CCC23CCN(Cc2ccccn2)CC3)c1
InChIInChI=1S/C20H26N4O/c1-23-11-6-16(14-23)19(25)22-18-5-7-20(18)8-12-24(13-9-20)15-17-4-2-3-10-21-17/h2-4,6,10-11,14,18H,5,7-9,12-13,15H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyGIRWBRRBESUHSE-SFHVURJKSA-N
XLogP2.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[(3R)-7-(pyridine-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
CID 97374981
N-[(3R)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
CID 97374758
1-methyl-N-[(3R)-7-[(5-methylthiophen-2-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
CID 97374956
1-methyl-N-[7-(pyridine-4-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118744218
1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 124815429
N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124780353
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97474442
4-(4-methylpiperidin-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 46977137
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74245856
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide (CID 97374960) is 1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide is Cn1ccc(C(=O)N[C@H]2CCC23CCN(Cc2ccccn2)CC3)c1.
What is the InChIKey of 1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
The InChIKey is GIRWBRRBESUHSE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-11-6-16(14-23)19(25)22-18-5-7-20(18)8-12-24(13-9-20)15-17-4-2-3-10-21-17/h2-4,6,10-11,14,18H,5,7-9,12-13,15H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of 1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 97374960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).