1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide

C23H27N3O2 — CID 46979247

IUPAC1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
SMILESCc1ccc(C)c2c1cc(C(=O)N(Cc1ccccn1)CC1CCCO1)n2C
InChIInChI=1S/C23H27N3O2/c1-16-9-10-17(2)22-20(16)13-21(25(22)3)23(27)26(15-19-8-6-12-28-19)14-18-7-4-5-11-24-18/h4-5,7,9-11,13,19H,6,8,12,14-15H2,1-3H3
InChIKeyKVGNNOGOEDMFTC-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.01
Rot. Bonds5

About 1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide

1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide (PubChem CID 46979247) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
PubChem CID46979247
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
SMILESCc1ccc(C)c2c1cc(C(=O)N(Cc1ccccn1)CC1CCCO1)n2C
InChIInChI=1S/C23H27N3O2/c1-16-9-10-17(2)22-20(16)13-21(25(22)3)23(27)26(15-19-8-6-12-28-19)14-18-7-4-5-11-24-18/h4-5,7,9-11,13,19H,6,8,12,14-15H2,1-3H3
InChIKeyKVGNNOGOEDMFTC-UHFFFAOYSA-N
XLogP4.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 97152220
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 92613637
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 96574084
6-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;hydrochloride
CID 171672342
5-(4-chlorophenyl)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 92613543
2-[3-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)carbamoyl]anilino]acetic acid
CID 46988637
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 92614370
3,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 171672352
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 47000481

Frequently Asked Questions

What is the IUPAC name of 1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The IUPAC name of 1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide (CID 46979247) is 1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide is Cc1ccc(C)c2c1cc(C(=O)N(Cc1ccccn1)CC1CCCO1)n2C.
What is the InChIKey of 1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The InChIKey is KVGNNOGOEDMFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-9-10-17(2)22-20(16)13-21(25(22)3)23(27)26(15-19-8-6-12-28-19)14-18-7-4-5-11-24-18/h4-5,7,9-11,13,19H,6,8,12,14-15H2,1-3H3.
What are the key properties of 1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 46979247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).