4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide

C16H15N3O2 — CID 133471261

IUPAC4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide
SMILESCc1c(CNc2ccncc2C(N)=O)oc2ccccc12
InChIInChI=1S/C16H15N3O2/c1-10-11-4-2-3-5-14(11)21-15(10)9-19-13-6-7-18-8-12(13)16(17)20/h2-8H,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyXOTPQBNQYUDXLK-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.85
Rot. Bonds4

About 4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide

4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide (PubChem CID 133471261) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide
PubChem CID133471261
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide
SMILESCc1c(CNc2ccncc2C(N)=O)oc2ccccc12
InChIInChI=1S/C16H15N3O2/c1-10-11-4-2-3-5-14(11)21-15(10)9-19-13-6-7-18-8-12(13)16(17)20/h2-8H,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyXOTPQBNQYUDXLK-UHFFFAOYSA-N
XLogP2.85
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 133442516
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide
CID 133454947
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119789592
6-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyridin-2-amine
CID 133483293
4-[[[N'-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111602497
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133468935
N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide
CID 102134690
4-[[2-(4-chlorophenyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133469856

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide (CID 133471261) is 4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide is Cc1c(CNc2ccncc2C(N)=O)oc2ccccc12.
What is the InChIKey of 4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is XOTPQBNQYUDXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-11-4-2-3-5-14(11)21-15(10)9-19-13-6-7-18-8-12(13)16(17)20/h2-8H,9H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide?
4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133471261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).