6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

C19H21N3O — CID 166476038

IUPAC6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N(Cc3cccnc3)C(C)C)[nH]c2c1
InChIInChI=1S/C19H21N3O/c1-13(2)22(12-15-5-4-8-20-11-15)19(23)18-10-16-7-6-14(3)9-17(16)21-18/h4-11,13,21H,12H2,1-3H3
InChIKeyBTCGAQSQZSFXDQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.92
Rot. Bonds4

About 6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 166476038) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
PubChem CID166476038
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N(Cc3cccnc3)C(C)C)[nH]c2c1
InChIInChI=1S/C19H21N3O/c1-13(2)22(12-15-5-4-8-20-11-15)19(23)18-10-16-7-6-14(3)9-17(16)21-18/h4-11,13,21H,12H2,1-3H3
InChIKeyBTCGAQSQZSFXDQ-UHFFFAOYSA-N
XLogP3.92
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 113207051
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
3-[benzyl-(6-methyl-1H-indole-2-carbonyl)amino]-2-methylpropanoic acid
CID 122146155
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903
2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114917912
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 50980220
5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 81316551

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide (CID 166476038) is 6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)N(Cc3cccnc3)C(C)C)[nH]c2c1.
What is the InChIKey of 6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is BTCGAQSQZSFXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13(2)22(12-15-5-4-8-20-11-15)19(23)18-10-16-7-6-14(3)9-17(16)21-18/h4-11,13,21H,12H2,1-3H3.
What are the key properties of 6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 166476038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).