N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide

C22H24N4O — CID 109210768

IUPACN-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCC(Nc1ccnc(C(=O)N(C)CCc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-17(19-6-4-3-5-7-19)25-20-10-14-24-21(16-20)22(27)26(2)15-11-18-8-12-23-13-9-18/h3-10,12-14,16-17H,11,15H2,1-2H3,(H,24,25)
InChIKeyBGNGOPVIPKYDQP-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.96
Rot. Bonds7

About N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide

N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 109210768) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
PubChem CID109210768
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCC(Nc1ccnc(C(=O)N(C)CCc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-17(19-6-4-3-5-7-19)25-20-10-14-24-21(16-20)22(27)26(2)15-11-18-8-12-23-13-9-18/h3-10,12-14,16-17H,11,15H2,1-2H3,(H,24,25)
InChIKeyBGNGOPVIPKYDQP-UHFFFAOYSA-N
XLogP3.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214723
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214693
4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214020
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214677
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
4-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214653
6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109340614
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
5-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109181625
N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201563
4-[(2-hydroxy-1-phenylethyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63182907

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (CID 109210768) is N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is CC(Nc1ccnc(C(=O)N(C)CCc2ccncc2)c1)c1ccccc1.
What is the InChIKey of N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is BGNGOPVIPKYDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17(19-6-4-3-5-7-19)25-20-10-14-24-21(16-20)22(27)26(2)15-11-18-8-12-23-13-9-18/h3-10,12-14,16-17H,11,15H2,1-2H3,(H,24,25).
What are the key properties of N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109210768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).