N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C21H23N5O — CID 109331248

IUPACN,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nc(C)cc(C(=O)N(C)CCc3ccncc3)n2)c1
InChIInChI=1S/C21H23N5O/c1-15-5-4-6-18(13-15)24-21-23-16(2)14-19(25-21)20(27)26(3)12-9-17-7-10-22-11-8-17/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,23,24,25)
InChIKeyIQOJCKNSMZDSNG-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.55
Rot. Bonds6

About N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109331248) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109331248
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nc(C)cc(C(=O)N(C)CCc3ccncc3)n2)c1
InChIInChI=1S/C21H23N5O/c1-15-5-4-6-18(13-15)24-21-23-16(2)14-19(25-21)20(27)26(3)12-9-17-7-10-22-11-8-17/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,23,24,25)
InChIKeyIQOJCKNSMZDSNG-UHFFFAOYSA-N
XLogP3.55
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(dimethylamino)anilino]-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331284
N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109236995
N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334890
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517
N-ethyl-6-methyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334901
2-N-(3-chlorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098702
5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192922
6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122715
N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109305156
2-(1,3-benzodioxol-5-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309098
2-(3-chloro-4-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309074
2-(3-bromoanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109335028

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 109331248) is N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is Cc1cccc(Nc2nc(C)cc(C(=O)N(C)CCc3ccncc3)n2)c1.
What is the InChIKey of N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is IQOJCKNSMZDSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-5-4-6-18(13-15)24-21-23-16(2)14-19(25-21)20(27)26(3)12-9-17-7-10-22-11-8-17/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,23,24,25).
What are the key properties of N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109331248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).