N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide

C24H21ClN4O2 — CID 69399659

IUPACN-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(N2C=CCN(C(=O)c3ccccc3Cl)C2)nc1
InChIInChI=1S/C24H21ClN4O2/c25-21-10-5-4-9-20(21)24(31)29-14-6-13-28(17-29)22-12-11-19(16-26-22)23(30)27-15-18-7-2-1-3-8-18/h1-13,16H,14-15,17H2,(H,27,30)
InChIKeyUNTMKXLSGPHDRT-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.10
Rot. Bonds5

About N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide

N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide (PubChem CID 69399659) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide
PubChem CID69399659
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC NameN-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(N2C=CCN(C(=O)c3ccccc3Cl)C2)nc1
InChIInChI=1S/C24H21ClN4O2/c25-21-10-5-4-9-20(21)24(31)29-14-6-13-28(17-29)22-12-11-19(16-26-22)23(30)27-15-18-7-2-1-3-8-18/h1-13,16H,14-15,17H2,(H,27,30)
InChIKeyUNTMKXLSGPHDRT-UHFFFAOYSA-N
XLogP4.10
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide (CID 69399659) is N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide is O=C(NCc1ccccc1)c1ccc(N2C=CCN(C(=O)c3ccccc3Cl)C2)nc1.
What is the InChIKey of N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide?
The InChIKey is UNTMKXLSGPHDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c25-21-10-5-4-9-20(21)24(31)29-14-6-13-28(17-29)22-12-11-19(16-26-22)23(30)27-15-18-7-2-1-3-8-18/h1-13,16H,14-15,17H2,(H,27,30).
What are the key properties of N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide?
N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 69399659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).