4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide

C28H31N5O — CID 11698163

IUPAC4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4[nH]ncc4c3)ccn2)CC1
InChIInChI=1S/C28H31N5O/c29-17-20-6-8-21(9-7-20)28(34)32-27(14-19-4-2-1-3-5-19)26-16-23(12-13-30-26)22-10-11-25-24(15-22)18-31-33-25/h1-5,10-13,15-16,18,20-21,27H,6-9,14,17,29H2,(H,31,33)(H,32,34)
InChIKeyAFPIJVIYBQQTDZ-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.79
Rot. Bonds7

About 4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide (PubChem CID 11698163) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
PubChem CID11698163
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC Name4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4[nH]ncc4c3)ccn2)CC1
InChIInChI=1S/C28H31N5O/c29-17-20-6-8-21(9-7-20)28(34)32-27(14-19-4-2-1-3-5-19)26-16-23(12-13-30-26)22-10-11-25-24(15-22)18-31-33-25/h1-5,10-13,15-16,18,20-21,27H,6-9,14,17,29H2,(H,31,33)(H,32,34)
InChIKeyAFPIJVIYBQQTDZ-UHFFFAOYSA-N
XLogP4.79
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide
CID 11316986
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-[2-(1H-indol-3-yl)ethyl]-6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexanamide
CID 11590581
N-[2-(1H-indol-3-yl)ethyl]-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 11620371
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531981
N-[3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 16478638
4-(4-fluoro-3-((pyridin-2-ylmethyl)carbamoyl)phenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 118888941
1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135559055
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide (CID 11698163) is 4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4[nH]ncc4c3)ccn2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide?
The InChIKey is AFPIJVIYBQQTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c29-17-20-6-8-21(9-7-20)28(34)32-27(14-19-4-2-1-3-5-19)26-16-23(12-13-30-26)22-10-11-25-24(15-22)18-31-33-25/h1-5,10-13,15-16,18,20-21,27H,6-9,14,17,29H2,(H,31,33)(H,32,34).
What are the key properties of 4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11698163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).