2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide

C23H23Cl2FN6O — CID 71495332

IUPAC2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide
SMILESCC(c1ncnc(Cl)c1F)N1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H23Cl2FN6O/c1-14(20-19(26)21(25)29-13-28-20)32-10-7-16(8-11-32)30-22-18(6-3-9-27-22)23(33)31-17-5-2-4-15(24)12-17/h2-6,9,12-14,16H,7-8,10-11H2,1H3,(H,27,30)(H,31,33)
InChIKeyAJUUOERZCSUFDE-UHFFFAOYSA-N
MW489.38 g/mol
LogP5.21
Rot. Bonds6

About 2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide

2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide (PubChem CID 71495332) has the molecular formula C23H23Cl2FN6O and a molecular weight of 489.38 g/mol. Its IUPAC name is 2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide
PubChem CID71495332
Molecular FormulaC23H23Cl2FN6O
Molecular Weight489.38 g/mol
Exact Mass488.13
IUPAC Name2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide
SMILESCC(c1ncnc(Cl)c1F)N1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H23Cl2FN6O/c1-14(20-19(26)21(25)29-13-28-20)32-10-7-16(8-11-32)30-22-18(6-3-9-27-22)23(33)31-17-5-2-4-15(24)12-17/h2-6,9,12-14,16H,7-8,10-11H2,1H3,(H,27,30)(H,31,33)
InChIKeyAJUUOERZCSUFDE-UHFFFAOYSA-N
XLogP5.21
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.38
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-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

Gs-9901
CID 86763204
2,4-Bis(Azanyl)-6-[[(1~{s})-1-[5-Chloranyl-3-(5-Fluoranyl-4-Methyl-Pyridin-3-Yl)-4-Oxidanylidene-Quinazolin-2-Yl]ethyl]amino]pyrimidine-5-Carbonitrile
CID 86762886
5-Chloro-2-ethyl-9-methyl-13-[(phenylamino)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470669
5-Chloro-2-ethyl-9-methyl-13-{[methyl(phenyl)amino]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470674
13-{[(3-Aminophenyl)amino]methyl}-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470675
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 34
CID 5327881
Pyrrolo[2,3-d]pyrimidin-6-one deriv. 26n
CID 5329242
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(2-ethylpiperidin-1-yl)methanone
CID 23725698
(5-Chloro-6-((6-methylpyridin-3-yl)amino)pyridin-3-yl)-((2R)-2-ethylpiperidin-1-yl)methanone
CID 23725699
N-[6-chloro-4-(methylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548169
N-[3-chloro-2-(methylcarbamoyl)phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548184
(S)-5-chloro-6-(4-(1-(4-chloro-2-fluorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)-N-ethylnicotinamide
CID 11569938

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide (CID 71495332) is 2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide is CC(c1ncnc(Cl)c1F)N1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is AJUUOERZCSUFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN6O/c1-14(20-19(26)21(25)29-13-28-20)32-10-7-16(8-11-32)30-22-18(6-3-9-27-22)23(33)31-17-5-2-4-15(24)12-17/h2-6,9,12-14,16H,7-8,10-11H2,1H3,(H,27,30)(H,31,33).
What are the key properties of 2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide?
2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 489.38 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]piperidin-4-yl]amino]-N-(3-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 71495332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).