N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide

C22H24N4O2 — CID 50956181

IUPACN-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCC(c1ccc(OC)cc1)N(CC)C(=O)c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C22H24N4O2/c1-4-20(16-8-10-19(28-3)11-9-16)26(5-2)22(27)18-14-24-21(25-15-18)17-7-6-12-23-13-17/h6-15,20H,4-5H2,1-3H3
InChIKeyPTTFXOASRJZILJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.16
Rot. Bonds7

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

N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 50956181) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID50956181
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCC(c1ccc(OC)cc1)N(CC)C(=O)c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C22H24N4O2/c1-4-20(16-8-10-19(28-3)11-9-16)26(5-2)22(27)18-14-24-21(25-15-18)17-7-6-12-23-13-17/h6-15,20H,4-5H2,1-3H3
InChIKeyPTTFXOASRJZILJ-UHFFFAOYSA-N
XLogP4.16
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
(3S)-N-ethyl-N-[(R)-(4-methoxyphenyl)-pyridin-3-ylmethyl]oxolane-3-carboxamide
CID 97213070
N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74234499
(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol
CID 96540909
N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 50961931
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
CID 143937695
N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581201
N-ethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 141194620
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 50956181) is N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide is CCC(c1ccc(OC)cc1)N(CC)C(=O)c1cnc(-c2cccnc2)nc1.
What is the InChIKey of N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is PTTFXOASRJZILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-20(16-8-10-19(28-3)11-9-16)26(5-2)22(27)18-14-24-21(25-15-18)17-7-6-12-23-13-17/h6-15,20H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 50956181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).