4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide

C19H25N5O — CID 71523125

IUPAC4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide
SMILESCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)n1
InChIInChI=1S/C19H25N5O/c1-12-5-4-8-18(22-12)24-17-11-13(9-10-14(17)19(21)25)23-16-7-3-2-6-15(16)20/h4-5,8-11,15-16,23H,2-3,6-7,20H2,1H3,(H2,21,25)(H,22,24)/t15-,16+/m0/s1
InChIKeyGTXJLJRDPSWJNY-JKSUJKDBSA-N
MW339.44 g/mol
LogP2.91
Rot. Bonds5

About 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide

4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide (PubChem CID 71523125) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide.

Molecular Properties

Compound Name4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide
PubChem CID71523125
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide
SMILESCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)n1
InChIInChI=1S/C19H25N5O/c1-12-5-4-8-18(22-12)24-17-11-13(9-10-14(17)19(21)25)23-16-7-3-2-6-15(16)20/h4-5,8-11,15-16,23H,2-3,6-7,20H2,1H3,(H2,21,25)(H,22,24)/t15-,16+/m0/s1
InChIKeyGTXJLJRDPSWJNY-JKSUJKDBSA-N
XLogP2.91
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide with MolForge

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Related Compounds

6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide
CID 69284028
N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10764021
5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(4,6-dimethylpyridin-2-yl)amino]pyridine-2-carboxamide
CID 71533675
6-(4-Acryloyl-piperazin-1-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038376
2-(4-Ethyl-phenylamino)-4,6-dimethyl-nicotinamide
CID 712047
Benzamide, p-amino-N-(6-methyl-2-pyridyl)-
CID 37553
1-(4-{8-[butyl(ethyl)amino]-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-4-yl}-3-methylphenyl)ethan-1-one
CID 24768344
3-({4-[(5-Amino-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138024
2-({2-[(4-Carbamoylphenyl)amino]pyrimidin-4-Yl}amino)benzamide
CID 60138156
4-(Benzylamino)-6-({4-[(1-Methylpiperidin-4-Yl)carbamoyl]phenyl}amino)pyridine-3-Carboxamide
CID 131704460
2-[4-(tert-butylcarbamoyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 137349435
N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide
CID 10085767

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide?
The IUPAC name of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide (CID 71523125) is 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide.
What is the SMILES notation for 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide?
The canonical SMILES for 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide is Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)n1.
What is the InChIKey of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide?
The InChIKey is GTXJLJRDPSWJNY-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12-5-4-8-18(22-12)24-17-11-13(9-10-14(17)19(21)25)23-16-7-3-2-6-15(16)20/h4-5,8-11,15-16,23H,2-3,6-7,20H2,1H3,(H2,21,25)(H,22,24)/t15-,16+/m0/s1.
What are the key properties of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide?
4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide is sourced from PubChem (CID 71523125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).