N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide

C20H21N5O — CID 74247011

IUPACN-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)NC(c2ccccc2)c2ccncc2)cn1
InChIInChI=1S/C20H21N5O/c1-14(2)24-20-22-12-17(13-23-20)19(26)25-18(15-6-4-3-5-7-15)16-8-10-21-11-9-16/h3-14,18H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyQWQCUJBQLJGEAW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.21
Rot. Bonds6

About N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide

N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 74247011) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID74247011
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)NC(c2ccccc2)c2ccncc2)cn1
InChIInChI=1S/C20H21N5O/c1-14(2)24-20-22-12-17(13-23-20)19(26)25-18(15-6-4-3-5-7-15)16-8-10-21-11-9-16/h3-14,18H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyQWQCUJBQLJGEAW-UHFFFAOYSA-N
XLogP3.21
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 84574553
N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109248455
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
CID 47007723
2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide
CID 72879802
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
CID 24847582
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide
CID 97148730
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256532
N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
CID 42925184

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 74247011) is N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide is CC(C)Nc1ncc(C(=O)NC(c2ccccc2)c2ccncc2)cn1.
What is the InChIKey of N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is QWQCUJBQLJGEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(2)24-20-22-12-17(13-23-20)19(26)25-18(15-6-4-3-5-7-15)16-8-10-21-11-9-16/h3-14,18H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 74247011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).