4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide

C30H34ClFN4O2 — CID 135243059

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)N[C@H](CO)CCC1CCCCC1
InChIInChI=1S/C30H34ClFN4O2/c1-19(2)24-17-34-28(23-14-21(31)9-11-26(23)32)15-29(24)36-27-12-13-33-16-25(27)30(38)35-22(18-37)10-8-20-6-4-3-5-7-20/h9,11-17,20,22,37H,1,3-8,10,18H2,2H3,(H,35,38)(H,33,34,36)/t22-/m0/s1
InChIKeyOBVPUBFCRPMZTG-QFIPXVFZSA-N
MW537.08 g/mol
LogP7.16
Rot. Bonds10

About 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide (PubChem CID 135243059) has the molecular formula C30H34ClFN4O2 and a molecular weight of 537.08 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide
PubChem CID135243059
Molecular FormulaC30H34ClFN4O2
Molecular Weight537.08 g/mol
Exact Mass536.24
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)N[C@H](CO)CCC1CCCCC1
InChIInChI=1S/C30H34ClFN4O2/c1-19(2)24-17-34-28(23-14-21(31)9-11-26(23)32)15-29(24)36-27-12-13-33-16-25(27)30(38)35-22(18-37)10-8-20-6-4-3-5-7-20/h9,11-17,20,22,37H,1,3-8,10,18H2,2H3,(H,35,38)(H,33,34,36)/t22-/m0/s1
InChIKeyOBVPUBFCRPMZTG-QFIPXVFZSA-N
XLogP7.16
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.08
LogP ≤ 57.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-((2-(5-Chloro-2-fluorophenyl)-5-isopropylpyridin-4-yl)amino)-N-(1,3-dihydroxypropan-2-yl)nicotinamide
CID 118211239
Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-ethylpyridin-4-ylamino)-N-(2-hydroxy propyl)nicotinamide
CID 91820701
Synthesis of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
CID 118211014
Synthesis of 4-{[2-(5-chloro-2-fluorophenyl)-5-(pyrrolidin-1-yl)pyridin-4-yl]amino}-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 118211070
Synthesis of N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
CID 118211175
Synthesis of N-(2-amino-2-oxo-ethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
CID 118211314
Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]-N-[2-(methane sulfonamido)ethyl]pyridine-3-carboxamide
CID 118211373
Synthesis of (S)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]-N-(2-hydroxy propyl)pyridine-3-carboxamide
CID 118219043
Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-isopropylpyridin-4-ylamino)-N-(1-hydroxypropan-2-yl)nicotinamide
CID 118219083
Synthesis of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino] pyridine-3-carboxamide
CID 118211015
4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-pyridyl]amino]-N-(2-hydroxy-1-methyl-ethyl)pyridine-3-carboxamide
CID 118211059
Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-pyridyl]amino]-N-cyclopropyl-pyridine-3-carboxamide
CID 118211095

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide (CID 135243059) is 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide is C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)N[C@H](CO)CCC1CCCCC1.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The InChIKey is OBVPUBFCRPMZTG-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H34ClFN4O2/c1-19(2)24-17-34-28(23-14-21(31)9-11-26(23)32)15-29(24)36-27-12-13-33-16-25(27)30(38)35-22(18-37)10-8-20-6-4-3-5-7-20/h9,11-17,20,22,37H,1,3-8,10,18H2,2H3,(H,35,38)(H,33,34,36)/t22-/m0/s1.
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide has a molecular weight of 537.08 g/mol, XLogP of 7.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-4-cyclohexyl-1-hydroxybutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 135243059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).