N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C15H19N5O — CID 166261832

IUPACN-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESN[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3cn[nH]c3)cn2)C1
InChIInChI=1S/C15H19N5O/c16-13-3-1-10(5-13)6-18-15(21)14-4-2-11(7-17-14)12-8-19-20-9-12/h2,4,7-10,13H,1,3,5-6,16H2,(H,18,21)(H,19,20)/t10-,13+/m0/s1
InChIKeyXNIXJJIKHUYEIG-GXFFZTMASA-N
MW285.35 g/mol
LogP1.33
Rot. Bonds4

About N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 166261832) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID166261832
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESN[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3cn[nH]c3)cn2)C1
InChIInChI=1S/C15H19N5O/c16-13-3-1-10(5-13)6-18-15(21)14-4-2-11(7-17-14)12-8-19-20-9-12/h2,4,7-10,13H,1,3,5-6,16H2,(H,18,21)(H,19,20)/t10-,13+/m0/s1
InChIKeyXNIXJJIKHUYEIG-GXFFZTMASA-N
XLogP1.33
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 166261832) is N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide is N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3cn[nH]c3)cn2)C1.
What is the InChIKey of N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is XNIXJJIKHUYEIG-GXFFZTMASA-N. The full InChI is InChI=1S/C15H19N5O/c16-13-3-1-10(5-13)6-18-15(21)14-4-2-11(7-17-14)12-8-19-20-9-12/h2,4,7-10,13H,1,3,5-6,16H2,(H,18,21)(H,19,20)/t10-,13+/m0/s1.
What are the key properties of N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 166261832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).