N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide

C24H31ClN4O — CID 20739781

IUPACN-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESC=C(Nc1ccc(Cl)cn1)c1cc(CC)ccc1NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C24H31ClN4O/c1-5-18-6-8-22(28-24(30)19-10-12-29(13-11-19)16(2)3)21(14-18)17(4)27-23-9-7-20(25)15-26-23/h6-9,14-16,19H,4-5,10-13H2,1-3H3,(H,26,27)(H,28,30)
InChIKeyXKXGDJDMGUUEMS-UHFFFAOYSA-N
MW426.99 g/mol
LogP5.44
Rot. Bonds7

About N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 20739781) has the molecular formula C24H31ClN4O and a molecular weight of 426.99 g/mol. Its IUPAC name is N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID20739781
Molecular FormulaC24H31ClN4O
Molecular Weight426.99 g/mol
Exact Mass426.22
IUPAC NameN-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESC=C(Nc1ccc(Cl)cn1)c1cc(CC)ccc1NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C24H31ClN4O/c1-5-18-6-8-22(28-24(30)19-10-12-29(13-11-19)16(2)3)21(14-18)17(4)27-23-9-7-20(25)15-26-23/h6-9,14-16,19H,4-5,10-13H2,1-3H3,(H,26,27)(H,28,30)
InChIKeyXKXGDJDMGUUEMS-UHFFFAOYSA-N
XLogP5.44
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.99
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-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

N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide
CID 20619862
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-hydroxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 10182437
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 20598018
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 55923776
N-(5-chloro-2-pyridinyl)-2-methylsulfanyl-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 10297855
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
N-(5-chloro-2-pyridinyl)-2,5-diethylbenzamide
CID 70908062
N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78903847
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 68958020
N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 55856601

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 20739781) is N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide is C=C(Nc1ccc(Cl)cn1)c1cc(CC)ccc1NC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is XKXGDJDMGUUEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O/c1-5-18-6-8-22(28-24(30)19-10-12-29(13-11-19)16(2)3)21(14-18)17(4)27-23-9-7-20(25)15-26-23/h6-9,14-16,19H,4-5,10-13H2,1-3H3,(H,26,27)(H,28,30).
What are the key properties of N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 426.99 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]-4-ethylphenyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 20739781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).