N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide

C17H23N3O — CID 102821250

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide
SMILESNCC#Cc1ccnc(NC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C17H23N3O/c18-11-4-7-15-10-12-19-16(13-15)20-17(21)9-8-14-5-2-1-3-6-14/h10,12-14H,1-3,5-6,8-9,11,18H2,(H,19,20,21)
InChIKeyUCUOVLLPMABWST-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.69
Rot. Bonds4

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide (PubChem CID 102821250) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide
PubChem CID102821250
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide
SMILESNCC#Cc1ccnc(NC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C17H23N3O/c18-11-4-7-15-10-12-19-16(13-15)20-17(21)9-8-14-5-2-1-3-6-14/h10,12-14H,1-3,5-6,8-9,11,18H2,(H,19,20,21)
InChIKeyUCUOVLLPMABWST-UHFFFAOYSA-N
XLogP2.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
CID 102821254
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide
CID 102821357
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide
CID 102821519
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
CID 102821435
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 102821340
4-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 175815050
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide
CID 60813037
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-carboxamide
CID 102821734
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
CID 102821245
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide
CID 102821806
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209995
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
CID 102821396

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide (CID 102821250) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide is NCC#Cc1ccnc(NC(=O)CCC2CCCCC2)c1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide?
The InChIKey is UCUOVLLPMABWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-11-4-7-15-10-12-19-16(13-15)20-17(21)9-8-14-5-2-1-3-6-14/h10,12-14H,1-3,5-6,8-9,11,18H2,(H,19,20,21).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide has a molecular weight of 285.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 102821250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).