1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

C23H25ClN6O — CID 73297045

IUPAC1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
SMILESCC(N)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1
InChIInChI=1S/C23H25ClN6O/c1-14(25)19-9-7-16(12-27-19)29-22-28-13-18(24)20(30-22)8-6-15-4-2-3-5-17(15)23(10-11-23)21(26)31/h2-5,7,9,12-14H,6,8,10-11,25H2,1H3,(H2,26,31)(H,28,29,30)
InChIKeyADECUQYWGSIQCQ-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.59
Rot. Bonds8

About 1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 73297045) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
PubChem CID73297045
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
SMILESCC(N)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1
InChIInChI=1S/C23H25ClN6O/c1-14(25)19-9-7-16(12-27-19)29-22-28-13-18(24)20(30-22)8-6-15-4-2-3-5-17(15)23(10-11-23)21(26)31/h2-5,7,9,12-14H,6,8,10-11,25H2,1H3,(H2,26,31)(H,28,29,30)
InChIKeyADECUQYWGSIQCQ-UHFFFAOYSA-N
XLogP3.59
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-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

2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide
CID 44448747
Pyrimidine-4-carboxamide, 64
CID 44520959
Pyrimidine-4-carboxamide, 66
CID 44520960
N-[(1R)-2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-1-phenylethyl]-3-piperazin-1-ylpropanamide
CID 68347007
N-[(1R)-2-[[5-chloro-2-(4-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]-4-piperazin-1-ylbutanamide
CID 68347339
8-[3-Chloro-5-[4-(1,2-dimethylimidazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118395147
US10251893, Cpd 123
CID 46926660
2-(2-(2-(2-((4-(Piperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164480
2-(2-(2-(2-((4-(4-Methylpiperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164481
2-(2-(2-(2-((4-(Piperidin-2-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164588
2-(2-(2-(2-((4-(4-Ethylpiperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164589
2-(2-(2-(2-((4-((4-Methylpiperazin-1-yl)methyl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
CID 60164911

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide (CID 73297045) is 1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide is CC(N)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1.
What is the InChIKey of 1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is ADECUQYWGSIQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-14(25)19-9-7-16(12-27-19)29-22-28-13-18(24)20(30-22)8-6-15-4-2-3-5-17(15)23(10-11-23)21(26)31/h2-5,7,9,12-14H,6,8,10-11,25H2,1H3,(H2,26,31)(H,28,29,30).
What are the key properties of 1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 436.95 g/mol, XLogP of 3.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[[6-(1-aminoethyl)-3-pyridinyl]amino]-5-chloropyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 73297045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).