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

C19H16N4O — CID 129240170

IUPACN-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(C3CC3)c2)cn1)c1cncnc1
InChIInChI=1S/C19H16N4O/c24-19(17-9-20-12-21-10-17)23-18-7-6-16(11-22-18)15-3-1-2-14(8-15)13-4-5-13/h1-3,6-13H,4-5H2,(H,22,23,24)
InChIKeyMJZFKVRCRHRJJC-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.67
Rot. Bonds4

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

N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide (PubChem CID 129240170) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide
PubChem CID129240170
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(C3CC3)c2)cn1)c1cncnc1
InChIInChI=1S/C19H16N4O/c24-19(17-9-20-12-21-10-17)23-18-7-6-16(11-22-18)15-3-1-2-14(8-15)13-4-5-13/h1-3,6-13H,4-5H2,(H,22,23,24)
InChIKeyMJZFKVRCRHRJJC-UHFFFAOYSA-N
XLogP3.67
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 162697161
N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide
CID 129240179
N-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine-3-carboxamide
CID 157371621
N-[5-(3,4-dichlorophenyl)-2-pyridinyl]benzamide
CID 24949712
N-(2-cyclopropylphenyl)-3-[6-(methanesulfonamido)-3-pyridinyl]benzamide
CID 169420485
N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide
CID 166645572
N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide
CID 176582558
N-(4-cyclopropyl-2-pyridinyl)benzamide
CID 140765291
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129255075
N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 50964552
N-(3-aminophenyl)pyrimidine-5-carboxamide
CID 102921225

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide (CID 129240170) is N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide is O=C(Nc1ccc(-c2cccc(C3CC3)c2)cn1)c1cncnc1.
What is the InChIKey of N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide?
The InChIKey is MJZFKVRCRHRJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-19(17-9-20-12-21-10-17)23-18-7-6-16(11-22-18)15-3-1-2-14(8-15)13-4-5-13/h1-3,6-13H,4-5H2,(H,22,23,24).
What are the key properties of N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide?
N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 129240170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).