N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide

C14H15N3O3 — CID 162659056

IUPACN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1cc(=O)c(O)c(CNC(=O)c2ccncc2)n1C
InChIInChI=1S/C14H15N3O3/c1-9-7-12(18)13(19)11(17(9)2)8-16-14(20)10-3-5-15-6-4-10/h3-7,19H,8H2,1-2H3,(H,16,20)
InChIKeyKDHPGGDSCPVMIE-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.72
Rot. Bonds3

About N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide

N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 162659056) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID162659056
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1cc(=O)c(O)c(CNC(=O)c2ccncc2)n1C
InChIInChI=1S/C14H15N3O3/c1-9-7-12(18)13(19)11(17(9)2)8-16-14(20)10-3-5-15-6-4-10/h3-7,19H,8H2,1-2H3,(H,16,20)
InChIKeyKDHPGGDSCPVMIE-UHFFFAOYSA-N
XLogP0.72
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 3698
CID 3698
CID 10089466
CID 10089466
CID 55263
CID 55263
CID 3035194
CID 3035194
CID 91810435
CID 91810435
CID 10735
CID 10735
CID 73327
CID 73327
CID 1247370
CID 1247370
CID 26097
CID 26097
CID 160607
CID 160607
CID 876553
CID 876553
CID 5396716
CID 5396716

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide (CID 162659056) is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide is Cc1cc(=O)c(O)c(CNC(=O)c2ccncc2)n1C.
What is the InChIKey of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is KDHPGGDSCPVMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-7-12(18)13(19)11(17(9)2)8-16-14(20)10-3-5-15-6-4-10/h3-7,19H,8H2,1-2H3,(H,16,20).
What are the key properties of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide?
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 162659056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).