N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide

C28H40N6O2 — CID 91610132

IUPACN-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCN(C)Cc1ccnc(NC2CCC(C(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)CC2)n1
InChIInChI=1S/C28H40N6O2/c1-34(2)19-25-15-16-29-28(33-25)32-23-13-11-22(12-14-23)26(35)30-18-20-7-6-10-24(17-20)31-27(36)21-8-4-3-5-9-21/h6-7,10,15-17,21-23H,3-5,8-9,11-14,18-19H2,1-2H3,(H,30,35)(H,31,36)(H,29,32,33)
InChIKeyMOYAVQNUFOZKEY-UHFFFAOYSA-N
MW492.67 g/mol
LogP4.34
Rot. Bonds9

About N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide

N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 91610132) has the molecular formula C28H40N6O2 and a molecular weight of 492.67 g/mol. Its IUPAC name is N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID91610132
Molecular FormulaC28H40N6O2
Molecular Weight492.67 g/mol
Exact Mass492.32
IUPAC NameN-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCN(C)Cc1ccnc(NC2CCC(C(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)CC2)n1
InChIInChI=1S/C28H40N6O2/c1-34(2)19-25-15-16-29-28(33-25)32-23-13-11-22(12-14-23)26(35)30-18-20-7-6-10-24(17-20)31-27(36)21-8-4-3-5-9-21/h6-7,10,15-17,21-23H,3-5,8-9,11-14,18-19H2,1-2H3,(H,30,35)(H,31,36)(H,29,32,33)
InChIKeyMOYAVQNUFOZKEY-UHFFFAOYSA-N
XLogP4.34
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
CID 90710188
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 69015517
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[3-[[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]methyl]phenyl]cyclohexanecarboxamide
CID 110969138
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055351
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926249
N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide
CID 167928606
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55893796

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide (CID 91610132) is N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide is CN(C)Cc1ccnc(NC2CCC(C(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)CC2)n1.
What is the InChIKey of N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is MOYAVQNUFOZKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O2/c1-34(2)19-25-15-16-29-28(33-25)32-23-13-11-22(12-14-23)26(35)30-18-20-7-6-10-24(17-20)31-27(36)21-8-4-3-5-9-21/h6-7,10,15-17,21-23H,3-5,8-9,11-14,18-19H2,1-2H3,(H,30,35)(H,31,36)(H,29,32,33).
What are the key properties of N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide?
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 492.67 g/mol, XLogP of 4.34, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-4-[[4-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 91610132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).