N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide

C21H22N4O — CID 72936682

IUPACN-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(-c2cccnc2)nc1)c1ccc(C)cc1C
InChIInChI=1S/C21H22N4O/c1-4-19(18-8-7-14(2)10-15(18)3)25-21(26)17-12-23-20(24-13-17)16-6-5-9-22-11-16/h5-13,19H,4H2,1-3H3,(H,25,26)
InChIKeyMDLMIELPEZPAPH-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 72936682) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID72936682
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(-c2cccnc2)nc1)c1ccc(C)cc1C
InChIInChI=1S/C21H22N4O/c1-4-19(18-8-7-14(2)10-15(18)3)25-21(26)17-12-23-20(24-13-17)16-6-5-9-22-11-16/h5-13,19H,4H2,1-3H3,(H,25,26)
InChIKeyMDLMIELPEZPAPH-UHFFFAOYSA-N
XLogP4.04
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97209971
N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
CID 100629953
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97203575
N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
CID 133265324
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 46993346
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94014126
N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46766795
N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
CID 132651077
N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide
CID 132650929
N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide
CID 132656310
N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 132656308
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 56743859

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 72936682) is N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide is CCC(NC(=O)c1cnc(-c2cccnc2)nc1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is MDLMIELPEZPAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-19(18-8-7-14(2)10-15(18)3)25-21(26)17-12-23-20(24-13-17)16-6-5-9-22-11-16/h5-13,19H,4H2,1-3H3,(H,25,26).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 72936682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).