6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C22H23N5O — CID 109372331

IUPAC6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)N(C)CCc2ccncc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C22H23N5O/c1-16-24-19(22(28)26(2)13-9-17-7-11-23-12-8-17)15-21(25-16)27-14-10-18-5-3-4-6-20(18)27/h3-8,11-12,15H,9-10,13-14H2,1-2H3
InChIKeyMPMMOTDQVIFAHO-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.19
Rot. Bonds5

About 6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109372331) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109372331
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)N(C)CCc2ccncc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C22H23N5O/c1-16-24-19(22(28)26(2)13-9-17-7-11-23-12-8-17)15-21(25-16)27-14-10-18-5-3-4-6-20(18)27/h3-8,11-12,15H,9-10,13-14H2,1-2H3
InChIKeyMPMMOTDQVIFAHO-UHFFFAOYSA-N
XLogP3.19
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331252
6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373418
4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112921603
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416
6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369066
2-(2,3-dihydroindol-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001520
[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848635
6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664
6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122738
6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372363
6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372375

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 109372331) is 6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is Cc1nc(C(=O)N(C)CCc2ccncc2)cc(N2CCc3ccccc32)n1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is MPMMOTDQVIFAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-24-19(22(28)26(2)13-9-17-7-11-23-12-8-17)15-21(25-16)27-14-10-18-5-3-4-6-20(18)27/h3-8,11-12,15H,9-10,13-14H2,1-2H3.
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109372331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).