N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide

C23H27N5O — CID 109329548

IUPACN-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C23H27N5O/c1-4-28(17-20-8-6-5-7-9-20)22(29)21-16-18(2)25-23(26-21)27(3)15-12-19-10-13-24-14-11-19/h5-11,13-14,16H,4,12,15,17H2,1-3H3
InChIKeyIGPDKZAZMAOEKF-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.52
Rot. Bonds8

About N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide

N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 109329548) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
PubChem CID109329548
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C23H27N5O/c1-4-28(17-20-8-6-5-7-9-20)22(29)21-16-18(2)25-23(26-21)27(3)15-12-19-10-13-24-14-11-19/h5-11,13-14,16H,4,12,15,17H2,1-3H3
InChIKeyIGPDKZAZMAOEKF-UHFFFAOYSA-N
XLogP3.52
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (CID 109329548) is N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(C)nc(N(C)CCc2ccncc2)n1.
What is the InChIKey of N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is IGPDKZAZMAOEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-4-28(17-20-8-6-5-7-9-20)22(29)21-16-18(2)25-23(26-21)27(3)15-12-19-10-13-24-14-11-19/h5-11,13-14,16H,4,12,15,17H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109329548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).