(2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide

C16H17N3O — CID 104985011

IUPAC(2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)[C@@H]2Cc3ccccc3N2)c1
InChIInChI=1S/C16H17N3O/c1-10-7-11(2)17-15(8-10)19-16(20)14-9-12-5-3-4-6-13(12)18-14/h3-8,14,18H,9H2,1-2H3,(H,17,19,20)/t14-/m0/s1
InChIKeySRAYNAVYPQILGL-AWEZNQCLSA-N
MW267.33 g/mol
LogP2.67
Rot. Bonds2

About (2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 104985011) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID104985011
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)[C@@H]2Cc3ccccc3N2)c1
InChIInChI=1S/C16H17N3O/c1-10-7-11(2)17-15(8-10)19-16(20)14-9-12-5-3-4-6-13(12)18-14/h3-8,14,18H,9H2,1-2H3,(H,17,19,20)/t14-/m0/s1
InChIKeySRAYNAVYPQILGL-AWEZNQCLSA-N
XLogP2.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104985001
(3R)-N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104985000
(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148110
(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61149245
N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 166772337
N-(4,6-dimethyl-2-pyridinyl)pyrazolidine-3-carboxamide
CID 123941964
(2S)-N-pyrimidin-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148592
N-(4,6-dimethyl-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22105811
(2S)-N-(5-propyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 104618262
N-(4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide
CID 115976769
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892365
N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567402

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 104985011) is (2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide is Cc1cc(C)nc(NC(=O)[C@@H]2Cc3ccccc3N2)c1.
What is the InChIKey of (2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is SRAYNAVYPQILGL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-7-11(2)17-15(8-10)19-16(20)14-9-12-5-3-4-6-13(12)18-14/h3-8,14,18H,9H2,1-2H3,(H,17,19,20)/t14-/m0/s1.
What are the key properties of (2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 104985011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).