N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide

C23H22ClN3O — CID 141336603

IUPACN-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide
SMILESCC1CC(C)(C)c2cccc(N(C(=O)c3ccccn3)c3cccnc3Cl)c21
InChIInChI=1S/C23H22ClN3O/c1-15-14-23(2,3)16-8-6-10-18(20(15)16)27(19-11-7-13-26-21(19)24)22(28)17-9-4-5-12-25-17/h4-13,15H,14H2,1-3H3
InChIKeyJDQLEHRHMDMAPQ-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.89
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide

N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide (PubChem CID 141336603) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide
PubChem CID141336603
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC NameN-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide
SMILESCC1CC(C)(C)c2cccc(N(C(=O)c3ccccn3)c3cccnc3Cl)c21
InChIInChI=1S/C23H22ClN3O/c1-15-14-23(2,3)16-8-6-10-18(20(15)16)27(19-11-7-13-26-21(19)24)22(28)17-9-4-5-12-25-17/h4-13,15H,14H2,1-3H3
InChIKeyJDQLEHRHMDMAPQ-UHFFFAOYSA-N
XLogP5.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-2-carboxamide
CID 6927601
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CID 126857014
N-(dimethylcarbamoyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 71569381
N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 42942380
N-methylpyridine-2-carbohydrazide
CID 45084309
1-(2-chloro-3-pyridinyl)-1-methylurea
CID 87395071
N-cyclopropyl-N-phenylpyridine-2-carboxamide
CID 68859541
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
ethane;pyridine-2-carbonyl chloride
CID 158598971
2-[(2-chloro-3-pyridinyl)-sulfoamino]-2-methylpropanoic acid
CID 174719438
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide (CID 141336603) is N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide is CC1CC(C)(C)c2cccc(N(C(=O)c3ccccn3)c3cccnc3Cl)c21.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide?
The InChIKey is JDQLEHRHMDMAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c1-15-14-23(2,3)16-8-6-10-18(20(15)16)27(19-11-7-13-26-21(19)24)22(28)17-9-4-5-12-25-17/h4-13,15H,14H2,1-3H3.
What are the key properties of N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide?
N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 141336603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).