N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide

C15H19N5O2 — CID 129476176

IUPACN-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(=O)[nH]c1)c1ccn([C@@H]2CCCNC2)n1
InChIInChI=1S/C15H19N5O2/c21-14-4-3-11(8-17-14)9-18-15(22)13-5-7-20(19-13)12-2-1-6-16-10-12/h3-5,7-8,12,16H,1-2,6,9-10H2,(H,17,21)(H,18,22)/t12-/m1/s1
InChIKeySRVNOSWALDLVJA-GFCCVEGCSA-N
MW301.35 g/mol
LogP0.43
Rot. Bonds4

About N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide

N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 129476176) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID129476176
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(=O)[nH]c1)c1ccn([C@@H]2CCCNC2)n1
InChIInChI=1S/C15H19N5O2/c21-14-4-3-11(8-17-14)9-18-15(22)13-5-7-20(19-13)12-2-1-6-16-10-12/h3-5,7-8,12,16H,1-2,6,9-10H2,(H,17,21)(H,18,22)/t12-/m1/s1
InChIKeySRVNOSWALDLVJA-GFCCVEGCSA-N
XLogP0.43
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide (CID 129476176) is N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide is O=C(NCc1ccc(=O)[nH]c1)c1ccn([C@@H]2CCCNC2)n1.
What is the InChIKey of N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is SRVNOSWALDLVJA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-14-4-3-11(8-17-14)9-18-15(22)13-5-7-20(19-13)12-2-1-6-16-10-12/h3-5,7-8,12,16H,1-2,6,9-10H2,(H,17,21)(H,18,22)/t12-/m1/s1.
What are the key properties of N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide?
N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 129476176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).