N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide

C22H25N5O — CID 166297508

IUPACN-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide
SMILESCCc1cc(C)nc(NCC2(NC(=O)c3ccc4nccc(C)c4c3)CC2)n1
InChIInChI=1S/C22H25N5O/c1-4-17-11-15(3)25-21(26-17)24-13-22(8-9-22)27-20(28)16-5-6-19-18(12-16)14(2)7-10-23-19/h5-7,10-12H,4,8-9,13H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyIVRHHUFHGFXCFA-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.58
Rot. Bonds6

About N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide

N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide (PubChem CID 166297508) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide
PubChem CID166297508
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide
SMILESCCc1cc(C)nc(NCC2(NC(=O)c3ccc4nccc(C)c4c3)CC2)n1
InChIInChI=1S/C22H25N5O/c1-4-17-11-15(3)25-21(26-17)24-13-22(8-9-22)27-20(28)16-5-6-19-18(12-16)14(2)7-10-23-19/h5-7,10-12H,4,8-9,13H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyIVRHHUFHGFXCFA-UHFFFAOYSA-N
XLogP3.58
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide
CID 138997163
4-methylquinoline-6-carboxylic acid;hydrochloride
CID 71811102
3-iodo-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2H-indazole-5-carboxamide
CID 86710892
N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane
CID 145015375
N-(cyclopropylmethyl)-4-ethyl-6-methylpyrimidin-2-amine
CID 131153777
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide
CID 167755112
1-(4-methylquinolin-6-yl)ethanol
CID 82575956
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide
CID 166350451
N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 114314181
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide
CID 126812723
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide?
The IUPAC name of N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide (CID 166297508) is N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide.
What is the SMILES notation for N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide?
The canonical SMILES for N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide is CCc1cc(C)nc(NCC2(NC(=O)c3ccc4nccc(C)c4c3)CC2)n1.
What is the InChIKey of N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide?
The InChIKey is IVRHHUFHGFXCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-4-17-11-15(3)25-21(26-17)24-13-22(8-9-22)27-20(28)16-5-6-19-18(12-16)14(2)7-10-23-19/h5-7,10-12H,4,8-9,13H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide?
N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(4-ethyl-6-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]-4-methylquinoline-6-carboxamide is sourced from PubChem (CID 166297508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).