N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide

C23H32N4O2 — CID 156753105

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1NCc1ccc(NC(C)C)nc1
InChIInChI=1S/C23H32N4O2/c1-15(2)26-22-11-9-17(14-25-22)13-24-20-12-18(10-8-16(20)3)23(29)27-19-6-4-5-7-21(19)28/h8-12,14-15,19,21,24,28H,4-7,13H2,1-3H3,(H,25,26)(H,27,29)/t19-,21-/m0/s1
InChIKeyMACLXXUHOKYVIM-FPOVZHCZSA-N
MW396.54 g/mol
LogP3.86
Rot. Bonds7

About N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide

N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide (PubChem CID 156753105) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide
PubChem CID156753105
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1NCc1ccc(NC(C)C)nc1
InChIInChI=1S/C23H32N4O2/c1-15(2)26-22-11-9-17(14-25-22)13-24-20-12-18(10-8-16(20)3)23(29)27-19-6-4-5-7-21(19)28/h8-12,14-15,19,21,24,28H,4-7,13H2,1-3H3,(H,25,26)(H,27,29)/t19-,21-/m0/s1
InChIKeyMACLXXUHOKYVIM-FPOVZHCZSA-N
XLogP3.86
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide with MolForge

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Related Compounds

3-[(2-chloropyrimidin-5-yl)methylamino]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 156753165
N-[(1S,2S)-2-hydroxycyclohexyl]-3-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methylamino]-4-methylbenzamide
CID 156753004
3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-ylmethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 156753055
3-[[5-(2-cyclopropylethynyl)-3-pyridinyl]methylamino]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 156753096
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide
CID 156753007
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486
3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid
CID 62360558
N-[(1S,2S)-2-hydroxycyclohexyl]-6-methyl-5-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 156753223
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133495372
N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide
CID 11167366

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide (CID 156753105) is N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide is Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1NCc1ccc(NC(C)C)nc1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide?
The InChIKey is MACLXXUHOKYVIM-FPOVZHCZSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-15(2)26-22-11-9-17(14-25-22)13-24-20-12-18(10-8-16(20)3)23(29)27-19-6-4-5-7-21(19)28/h8-12,14-15,19,21,24,28H,4-7,13H2,1-3H3,(H,25,26)(H,27,29)/t19-,21-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide has a molecular weight of 396.54 g/mol, XLogP of 3.86, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[[6-(propan-2-ylamino)-3-pyridinyl]methylamino]benzamide is sourced from PubChem (CID 156753105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).