N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide

C21H17N5O — CID 112848698

IUPACN-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C#N)cc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H17N5O/c1-14-23-18(21(27)25-17-8-6-15(13-22)7-9-17)12-20(24-14)26-11-10-16-4-2-3-5-19(16)26/h2-9,12H,10-11H2,1H3,(H,25,27)
InChIKeyNSRFCMVWMBWVJF-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.60
Rot. Bonds3

About N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide

N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112848698) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
PubChem CID112848698
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C#N)cc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H17N5O/c1-14-23-18(21(27)25-17-8-6-15(13-22)7-9-17)12-20(24-14)26-11-10-16-4-2-3-5-19(16)26/h2-9,12H,10-11H2,1H3,(H,25,27)
InChIKeyNSRFCMVWMBWVJF-UHFFFAOYSA-N
XLogP3.60
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848407
N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848790
N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848658
N-(4-cyanophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362875
6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664
N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848780
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416
N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364243
6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112848687
N-(4-cyanophenyl)-6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109100339
6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369066

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide (CID 112848698) is N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccc(C#N)cc2)cc(N2CCc3ccccc32)n1.
What is the InChIKey of N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is NSRFCMVWMBWVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-14-23-18(21(27)25-17-8-6-15(13-22)7-9-17)12-20(24-14)26-11-10-16-4-2-3-5-19(16)26/h2-9,12H,10-11H2,1H3,(H,25,27).
What are the key properties of N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide?
N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).