1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide

C17H17N3O — CID 110852155

IUPAC1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCc1cccc2c1cc(C(=O)NCc1ccncc1)n2C
InChIInChI=1S/C17H17N3O/c1-12-4-3-5-15-14(12)10-16(20(15)2)17(21)19-11-13-6-8-18-9-7-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyOTPFJHZVUJFTPR-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.81
Rot. Bonds3

About 1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide

1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide (PubChem CID 110852155) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
PubChem CID110852155
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCc1cccc2c1cc(C(=O)NCc1ccncc1)n2C
InChIInChI=1S/C17H17N3O/c1-12-4-3-5-15-14(12)10-16(20(15)2)17(21)19-11-13-6-8-18-9-7-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyOTPFJHZVUJFTPR-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
N-(1-amino-2-methylpropan-2-yl)-1,4-dimethylindole-2-carboxamide
CID 110833489
6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
CID 172892804
1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 141085829
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
6,10-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3600771
2-methyl-6-[(2-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109368512
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185
2-methoxy-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 110762827
1-(benzenesulfonyl)-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 71731527
3-amino-7-methyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112811

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The IUPAC name of 1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide (CID 110852155) is 1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide is Cc1cccc2c1cc(C(=O)NCc1ccncc1)n2C.
What is the InChIKey of 1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The InChIKey is OTPFJHZVUJFTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-4-3-5-15-14(12)10-16(20(15)2)17(21)19-11-13-6-8-18-9-7-13/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 110852155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).