4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide

C18H13N5O3 — CID 121195822

IUPAC4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H13N5O3/c24-15-9-17(26-16-4-2-1-3-14(15)16)18(25)20-10-12-11-23(22-21-12)13-5-7-19-8-6-13/h1-9,11H,10H2,(H,20,25)
InChIKeyNNUHAJRDSJYWBP-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.70
Rot. Bonds4

About 4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide

4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide (PubChem CID 121195822) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is 4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide
PubChem CID121195822
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Name4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H13N5O3/c24-15-9-17(26-16-4-2-1-3-14(15)16)18(25)20-10-12-11-23(22-21-12)13-5-7-19-8-6-13/h1-9,11H,10H2,(H,20,25)
InChIKeyNNUHAJRDSJYWBP-UHFFFAOYSA-N
XLogP1.70
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide
CID 121195947
N-[(6-hydroxyimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 170391703
4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide
CID 16867578
2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide
CID 121195878
N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119105033
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide
CID 122353411
3-phenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]butanamide
CID 121196031
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 121195997
2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
CID 121195982
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121195973
N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide
CID 121195802
4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide
CID 119106291

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide (CID 121195822) is 4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide is O=C(NCc1cn(-c2ccncc2)nn1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide?
The InChIKey is NNUHAJRDSJYWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c24-15-9-17(26-16-4-2-1-3-14(15)16)18(25)20-10-12-11-23(22-21-12)13-5-7-19-8-6-13/h1-9,11H,10H2,(H,20,25).
What are the key properties of 4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide?
4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide is sourced from PubChem (CID 121195822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).