6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide

C22H29FN6O2 — CID 56599747

IUPAC6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(NC2CCCC[C@@H]2N)nc1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H29FN6O2/c23-17-13-16(20(25)30)21(28-22(17)27-19-4-2-1-3-18(19)24)26-14-5-7-15(8-6-14)29-9-11-31-12-10-29/h5-8,13,18-19H,1-4,9-12,24H2,(H2,25,30)(H2,26,27,28)/t18-,19?/m0/s1
InChIKeyYOOHVEQQDXVXBL-OYKVQYDMSA-N
MW428.51 g/mol
LogP2.58
Rot. Bonds6

About 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide

6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (PubChem CID 56599747) has the molecular formula C22H29FN6O2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
PubChem CID56599747
Molecular FormulaC22H29FN6O2
Molecular Weight428.51 g/mol
Exact Mass428.23
IUPAC Name6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(NC2CCCC[C@@H]2N)nc1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H29FN6O2/c23-17-13-16(20(25)30)21(28-22(17)27-19-4-2-1-3-18(19)24)26-14-5-7-15(8-6-14)29-9-11-31-12-10-29/h5-8,13,18-19H,1-4,9-12,24H2,(H2,25,30)(H2,26,27,28)/t18-,19?/m0/s1
InChIKeyYOOHVEQQDXVXBL-OYKVQYDMSA-N
XLogP2.58
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
CID 69284997
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 135305758
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 163538424
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 56599745
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 77353295
6-[[(1R)-2-aminocyclohexyl]amino]-2-(3-chloro-5-fluoroanilino)-5-fluoropyridine-3-carboxamide
CID 129192471
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide
CID 163988793
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide
CID 69284871
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide
CID 67510063
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide
CID 67774949
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67776986

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (CID 56599747) is 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is NC(=O)c1cc(F)c(NC2CCCC[C@@H]2N)nc1Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The InChIKey is YOOHVEQQDXVXBL-OYKVQYDMSA-N. The full InChI is InChI=1S/C22H29FN6O2/c23-17-13-16(20(25)30)21(28-22(17)27-19-4-2-1-3-18(19)24)26-14-5-7-15(8-6-14)29-9-11-31-12-10-29/h5-8,13,18-19H,1-4,9-12,24H2,(H2,25,30)(H2,26,27,28)/t18-,19?/m0/s1.
What are the key properties of 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.58, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 56599747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).