N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

C21H20N4O — CID 53143618

IUPACN-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NCC3CC3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H20N4O/c1-14-2-6-17(7-3-14)20-23-13-18(21(26)24-12-15-4-5-15)19(25-20)16-8-10-22-11-9-16/h2-3,6-11,13,15H,4-5,12H2,1H3,(H,24,26)
InChIKeyUKJVRBDDASOXEY-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.65
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143618) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143618
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NCC3CC3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H20N4O/c1-14-2-6-17(7-3-14)20-23-13-18(21(26)24-12-15-4-5-15)19(25-20)16-8-10-22-11-9-16/h2-3,6-11,13,15H,4-5,12H2,1H3,(H,24,26)
InChIKeyUKJVRBDDASOXEY-UHFFFAOYSA-N
XLogP3.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143618) is N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is Cc1ccc(-c2ncc(C(=O)NCC3CC3)c(-c3ccncc3)n2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is UKJVRBDDASOXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-2-6-17(7-3-14)20-23-13-18(21(26)24-12-15-4-5-15)19(25-20)16-8-10-22-11-9-16/h2-3,6-11,13,15H,4-5,12H2,1H3,(H,24,26).
What are the key properties of N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).