2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide

C19H15ClN4O — CID 162697161

IUPAC2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(C3CC3)c2)cn1)c1cnc(Cl)nc1
InChIInChI=1S/C19H15ClN4O/c20-19-22-10-16(11-23-19)18(25)24-17-7-6-15(9-21-17)14-3-1-2-13(8-14)12-4-5-12/h1-3,6-12H,4-5H2,(H,21,24,25)
InChIKeyCADAJPXXXBGYEA-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.32
Rot. Bonds4

About 2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide

2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide (PubChem CID 162697161) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide
PubChem CID162697161
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(C3CC3)c2)cn1)c1cnc(Cl)nc1
InChIInChI=1S/C19H15ClN4O/c20-19-22-10-16(11-23-19)18(25)24-17-7-6-15(9-21-17)14-3-1-2-13(8-14)12-4-5-12/h1-3,6-12H,4-5H2,(H,21,24,25)
InChIKeyCADAJPXXXBGYEA-UHFFFAOYSA-N
XLogP4.32
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129240170
N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide
CID 129240179
N-[5-(3,4-dichlorophenyl)-2-pyridinyl]benzamide
CID 24949712
N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide
CID 166645572
N-(2-cyclopropylphenyl)-3-[6-(methanesulfonamido)-3-pyridinyl]benzamide
CID 169420485
5-chloro-N-(5-phenyl-2-pyridinyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55951557
N-(4-cyclopropyl-2-pyridinyl)benzamide
CID 140765291
N-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine-3-carboxamide
CID 157371621
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 50964552
methyl 2-[4-[4-(2-chloropyrimidin-5-yl)phenyl]cyclohexyl]acetate
CID 86634684
4-cyclohexyl-N-(5-hydroxy-2-pyridinyl)benzamide
CID 135137479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide (CID 162697161) is 2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide is O=C(Nc1ccc(-c2cccc(C3CC3)c2)cn1)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide?
The InChIKey is CADAJPXXXBGYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-19-22-10-16(11-23-19)18(25)24-17-7-6-15(9-21-17)14-3-1-2-13(8-14)12-4-5-12/h1-3,6-12H,4-5H2,(H,21,24,25).
What are the key properties of 2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide?
2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 162697161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).