2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide

C18H15ClN4O — CID 139512375

IUPAC2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(Cc2ccc(Cc3cccc(Cl)c3)cn2)n1
InChIInChI=1S/C18H15ClN4O/c19-14-3-1-2-12(9-14)8-13-4-5-15(22-11-13)10-17-21-7-6-16(23-17)18(20)24/h1-7,9,11H,8,10H2,(H2,20,24)
InChIKeyLHAXIMFDKVXYNY-UHFFFAOYSA-N
MW338.80 g/mol
LogP2.81
Rot. Bonds5

About 2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide

2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide (PubChem CID 139512375) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide
PubChem CID139512375
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(Cc2ccc(Cc3cccc(Cl)c3)cn2)n1
InChIInChI=1S/C18H15ClN4O/c19-14-3-1-2-12(9-14)8-13-4-5-15(22-11-13)10-17-21-7-6-16(23-17)18(20)24/h1-7,9,11H,8,10H2,(H2,20,24)
InChIKeyLHAXIMFDKVXYNY-UHFFFAOYSA-N
XLogP2.81
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorophenyl)methyl]pyrimidine-4-carboxylic acid
CID 55114826
(5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate
CID 167694406
4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one
CID 167643635
4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
CID 155700046
N-[[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
CID 62747011
2-[4-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-oxoacetyl chloride
CID 87737222
1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one
CID 160842054
[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 92616594
6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 140535401
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358244
4-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603390
1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045282

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide (CID 139512375) is 2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide is NC(=O)c1ccnc(Cc2ccc(Cc3cccc(Cl)c3)cn2)n1.
What is the InChIKey of 2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is LHAXIMFDKVXYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-14-3-1-2-12(9-14)8-13-4-5-15(22-11-13)10-17-21-7-6-16(23-17)18(20)24/h1-7,9,11H,8,10H2,(H2,20,24).
What are the key properties of 2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide?
2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 139512375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).