N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide

C20H24N4O — CID 167915406

IUPACN-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(c1ccccc1)c1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](N)[C@H]3C2)cn1
InChIInChI=1S/C20H24N4O/c1-24(16-5-3-2-4-6-16)19-8-7-13(12-22-19)20(25)23-15-9-14-10-18(21)17(14)11-15/h2-8,12,14-15,17-18H,9-11,21H2,1H3,(H,23,25)/t14-,15+,17-,18+/m0/s1
InChIKeyFQHLBEYWXYWVGS-CIRFHOKZSA-N
MW336.44 g/mol
LogP2.71
Rot. Bonds4

About N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide

N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 167915406) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide
PubChem CID167915406
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(c1ccccc1)c1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](N)[C@H]3C2)cn1
InChIInChI=1S/C20H24N4O/c1-24(16-5-3-2-4-6-16)19-8-7-13(12-22-19)20(25)23-15-9-14-10-18(21)17(14)11-15/h2-8,12,14-15,17-18H,9-11,21H2,1H3,(H,23,25)/t14-,15+,17-,18+/m0/s1
InChIKeyFQHLBEYWXYWVGS-CIRFHOKZSA-N
XLogP2.71
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 120576251
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692
4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 60809997
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 167920986
methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate
CID 112830437
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830787
N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
3-methyl-4-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120537159
N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830639

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide (CID 167915406) is N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide is CN(c1ccccc1)c1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](N)[C@H]3C2)cn1.
What is the InChIKey of N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is FQHLBEYWXYWVGS-CIRFHOKZSA-N. The full InChI is InChI=1S/C20H24N4O/c1-24(16-5-3-2-4-6-16)19-8-7-13(12-22-19)20(25)23-15-9-14-10-18(21)17(14)11-15/h2-8,12,14-15,17-18H,9-11,21H2,1H3,(H,23,25)/t14-,15+,17-,18+/m0/s1.
What are the key properties of N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide?
N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R,5S,6R)-6-amino-3-bicyclo[3.2.0]heptanyl]-6-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 167915406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).