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

C22H23N5O2 — CID 109372363

IUPAC6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2cc(C(=O)N(C)CCc3ccncc3)nc(C)n2)cc1
InChIInChI=1S/C22H23N5O2/c1-15(28)18-4-6-19(7-5-18)26-21-14-20(24-16(2)25-21)22(29)27(3)13-10-17-8-11-23-12-9-17/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,25,26)
InChIKeyMGJFYLQDPHEALM-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.44
Rot. Bonds7

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

6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109372363) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109372363
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2cc(C(=O)N(C)CCc3ccncc3)nc(C)n2)cc1
InChIInChI=1S/C22H23N5O2/c1-15(28)18-4-6-19(7-5-18)26-21-14-20(24-16(2)25-21)22(29)27(3)13-10-17-8-11-23-12-9-17/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,25,26)
InChIKeyMGJFYLQDPHEALM-UHFFFAOYSA-N
XLogP3.44
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372375
6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351695
2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309090
N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109372367
6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366285
methyl 4-[[2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]amino]benzoate
CID 112874437
2-[4-(dimethylamino)anilino]-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331284
N-butyl-6-(4-fluoroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847053
2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173135
N-butyl-6-[4-(diethylamino)anilino]-N,2-dimethylpyrimidine-4-carboxamide
CID 112847090
N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847051
6-(4-acetylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846653

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 109372363) is 6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is CC(=O)c1ccc(Nc2cc(C(=O)N(C)CCc3ccncc3)nc(C)n2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is MGJFYLQDPHEALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15(28)18-4-6-19(7-5-18)26-21-14-20(24-16(2)25-21)22(29)27(3)13-10-17-8-11-23-12-9-17/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,25,26).
What are the key properties of 6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109372363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).