[2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone

C19H29N3O2 — CID 135112899

IUPAC[2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(NCCCOC2CCCCC2)c1)N1CCCC1
InChIInChI=1S/C19H29N3O2/c23-19(22-12-4-5-13-22)16-9-11-21-18(15-16)20-10-6-14-24-17-7-2-1-3-8-17/h9,11,15,17H,1-8,10,12-14H2,(H,20,21)
InChIKeyCBTZIRXKQKJDOE-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.47
Rot. Bonds7

About [2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 135112899) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is [2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID135112899
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name[2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(NCCCOC2CCCCC2)c1)N1CCCC1
InChIInChI=1S/C19H29N3O2/c23-19(22-12-4-5-13-22)16-9-11-21-18(15-16)20-10-6-14-24-17-7-2-1-3-8-17/h9,11,15,17H,1-8,10,12-14H2,(H,20,21)
InChIKeyCBTZIRXKQKJDOE-UHFFFAOYSA-N
XLogP3.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 55697566
[2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109174945
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone
CID 135092689
1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169045
N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 63834324
[2-[2-(furan-2-yl)ethylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134709793
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
2-(2-cyclohexyloxyethylamino)pyridine-4-carbonitrile
CID 63826491
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
[2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109167191
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 135112899) is [2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccnc(NCCCOC2CCCCC2)c1)N1CCCC1.
What is the InChIKey of [2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is CBTZIRXKQKJDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(22-12-4-5-13-22)16-9-11-21-18(15-16)20-10-6-14-24-17-7-2-1-3-8-17/h9,11,15,17H,1-8,10,12-14H2,(H,20,21).
What are the key properties of [2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 331.46 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135112899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).