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

C21H20N4O — CID 109368416

IUPACN-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H20N4O/c1-15-23-18(21(26)22-14-16-7-3-2-4-8-16)13-20(24-15)25-12-11-17-9-5-6-10-19(17)25/h2-10,13H,11-12,14H2,1H3,(H,22,26)
InChIKeyUVBXBGKNPOOEDX-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.41
Rot. Bonds4

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

N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368416) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
PubChem CID109368416
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H20N4O/c1-15-23-18(21(26)22-14-16-7-3-2-4-8-16)13-20(24-15)25-12-11-17-9-5-6-10-19(17)25/h2-10,13H,11-12,14H2,1H3,(H,22,26)
InChIKeyUVBXBGKNPOOEDX-UHFFFAOYSA-N
XLogP3.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369066
6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664
6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373418
6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118400
5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280543
4-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210448
N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848698
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210211
N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109364580
6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848407
N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848658

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide (CID 109368416) is N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccccc2)cc(N2CCc3ccccc32)n1.
What is the InChIKey of N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is UVBXBGKNPOOEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-23-18(21(26)22-14-16-7-3-2-4-8-16)13-20(24-15)25-12-11-17-9-5-6-10-19(17)25/h2-10,13H,11-12,14H2,1H3,(H,22,26).
What are the key properties of N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide?
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).