1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide

C19H15N3O3 — CID 53004567

IUPAC1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccccn2)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C19H15N3O3/c1-22-15(18(23)21-11-12-6-4-5-9-20-12)10-14-17(22)13-7-2-3-8-16(13)25-19(14)24/h2-10H,11H2,1H3,(H,21,23)
InChIKeyPQFLLCAKLFGLBQ-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.61
Rot. Bonds3

About 1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide

1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide (PubChem CID 53004567) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide
PubChem CID53004567
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccccn2)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C19H15N3O3/c1-22-15(18(23)21-11-12-6-4-5-9-20-12)10-14-17(22)13-7-2-3-8-16(13)25-19(14)24/h2-10H,11H2,1H3,(H,21,23)
InChIKeyPQFLLCAKLFGLBQ-UHFFFAOYSA-N
XLogP2.61
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-4-oxo-N-(pyridin-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309438
1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide
CID 53004565
1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 110851900
4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43411105
4-hydroxy-2-oxochromene-3-carboxylic acid;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 174160334
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714
N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893916
5-chloro-3-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 40708349
4-methyl-N-(pyridin-2-ylmethyl)furo[3,2-c]quinoline-2-carboxamide
CID 3237079
1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 36714081
3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 58458867

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide (CID 53004567) is 1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide is Cn1c(C(=O)NCc2ccccn2)cc2c(=O)oc3ccccc3c21.
What is the InChIKey of 1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide?
The InChIKey is PQFLLCAKLFGLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-22-15(18(23)21-11-12-6-4-5-9-20-12)10-14-17(22)13-7-2-3-8-16(13)25-19(14)24/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of 1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide?
1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 53004567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).