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

C24H27N5O — CID 71522956

IUPAC4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide
SMILESNC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(-c2ccccc2)n1
InChIInChI=1S/C24H27N5O/c25-19-9-4-5-10-21(19)27-17-13-14-18(24(26)30)22(15-17)29-23-12-6-11-20(28-23)16-7-2-1-3-8-16/h1-3,6-8,11-15,19,21,27H,4-5,9-10,25H2,(H2,26,30)(H,28,29)/t19-,21+/m0/s1
InChIKeyGBTUAMNNQNLQOL-PZJWPPBQSA-N
MW401.51 g/mol
LogP4.27
Rot. Bonds6

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

4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide (PubChem CID 71522956) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide.

Molecular Properties

Compound Name4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide
PubChem CID71522956
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide
SMILESNC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(-c2ccccc2)n1
InChIInChI=1S/C24H27N5O/c25-19-9-4-5-10-21(19)27-17-13-14-18(24(26)30)22(15-17)29-23-12-6-11-20(28-23)16-7-2-1-3-8-16/h1-3,6-8,11-15,19,21,27H,4-5,9-10,25H2,(H2,26,30)(H,28,29)/t19-,21+/m0/s1
InChIKeyGBTUAMNNQNLQOL-PZJWPPBQSA-N
XLogP4.27
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide?
The IUPAC name of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide (CID 71522956) is 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide.
What is the SMILES notation for 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide?
The canonical SMILES for 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide is NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(-c2ccccc2)n1.
What is the InChIKey of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide?
The InChIKey is GBTUAMNNQNLQOL-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H27N5O/c25-19-9-4-5-10-21(19)27-17-13-14-18(24(26)30)22(15-17)29-23-12-6-11-20(28-23)16-7-2-1-3-8-16/h1-3,6-8,11-15,19,21,27H,4-5,9-10,25H2,(H2,26,30)(H,28,29)/t19-,21+/m0/s1.
What are the key properties of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide?
4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.27, 6 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-phenyl-2-pyridinyl)amino]benzamide is sourced from PubChem (CID 71522956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).