6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide

About 6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide

6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide (PubChem CID 122448542) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

Compound Name	6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
PubChem CID	122448542
Molecular Formula	C26H29ClN4O2
Molecular Weight	465.00 g/mol
Exact Mass	464.20
IUPAC Name	6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
SMILES	Cc1cc(C)c(CNC(=O)c2cc(C3=CC=C(Cl)NC3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1
InChI	InChI=1S/C26H29ClN4O2/c1-14(2)31-13-16(4)24-20(9-19(10-22(24)31)18-6-7-23(27)28-11-18)25(32)29-12-21-15(3)8-17(5)30-26(21)33/h6-10,13-14,28H,11-12H2,1-5H3,(H,29,32)(H,30,33)
InChIKey	ICQRVSXBUAPNTG-UHFFFAOYSA-N
XLogP	4.83
TPSA	78.92 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.00
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?

The IUPAC name of 6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide (CID 122448542) is 6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide.

What is the SMILES notation for 6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?

The canonical SMILES for 6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(C3=CC=C(Cl)NC3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1.

What is the InChIKey of 6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?

The InChIKey is ICQRVSXBUAPNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-14(2)31-13-16(4)24-20(9-19(10-22(24)31)18-6-7-23(27)28-11-18)25(32)29-12-21-15(3)8-17(5)30-26(21)33/h6-10,13-14,28H,11-12H2,1-5H3,(H,29,32)(H,30,33).

What are the key properties of 6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide?

6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide has a molecular weight of 465.00 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 122448542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).