CID 169248442

C13H13N4O2 — CID 169248442

IUPAC—
SMILESCOc1ccnc(C(=O)NC2=NN=C(C3CC3)[CH]2)c1
InChIInChI=1S/C13H13N4O2/c1-19-9-4-5-14-11(6-9)13(18)15-12-7-10(16-17-12)8-2-3-8/h4-8H,2-3H2,1H3,(H,15,17,18)
InChIKeyWXKCBCBHEFGQRY-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.20
Rot. Bonds3

About CID 169248442

CID 169248442 (PubChem CID 169248442) has the molecular formula C13H13N4O2 and a molecular weight of 257.27 g/mol.

Molecular Properties

Compound NameCID 169248442
PubChem CID169248442
Molecular FormulaC13H13N4O2
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name—
SMILESCOc1ccnc(C(=O)NC2=NN=C(C3CC3)[CH]2)c1
InChIInChI=1S/C13H13N4O2/c1-19-9-4-5-14-11(6-9)13(18)15-12-7-10(16-17-12)8-2-3-8/h4-8H,2-3H2,1H3,(H,15,17,18)
InChIKeyWXKCBCBHEFGQRY-UHFFFAOYSA-N
XLogP1.20
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze CID 169248442 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

N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081751
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081759
methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate
CID 174428157
4-methoxy-N-[2-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
CID 122570420
N-[1-(2-chlorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide
CID 122559882
methane;4-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 158194768
4-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 99249750
4-amino-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 55041968
N-(4-methoxyphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 55042638
N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide
CID 126448618
N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-4-methoxypyridine-2-carboxamide
CID 122563643

Frequently Asked Questions

What is the IUPAC name of CID 169248442?
The IUPAC name of CID 169248442 (CID 169248442) is not available.
What is the SMILES notation for CID 169248442?
The canonical SMILES for CID 169248442 is COc1ccnc(C(=O)NC2=NN=C(C3CC3)[CH]2)c1.
What is the InChIKey of CID 169248442?
The InChIKey is WXKCBCBHEFGQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N4O2/c1-19-9-4-5-14-11(6-9)13(18)15-12-7-10(16-17-12)8-2-3-8/h4-8H,2-3H2,1H3,(H,15,17,18).
What are the key properties of CID 169248442?
CID 169248442 has a molecular weight of 257.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169248442 is sourced from PubChem (CID 169248442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).