N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide

C19H29N3O2 — CID 86821414

IUPACN,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CCc2cccnc2)CCCCC1
InChIInChI=1S/C19H29N3O2/c1-3-22(4-2)18(24)19(12-6-5-7-13-19)21-17(23)11-10-16-9-8-14-20-15-16/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,21,23)
InChIKeyBGSQUPDEFCAECH-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.70
Rot. Bonds7

About N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide

N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide (PubChem CID 86821414) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide
PubChem CID86821414
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CCc2cccnc2)CCCCC1
InChIInChI=1S/C19H29N3O2/c1-3-22(4-2)18(24)19(12-6-5-7-13-19)21-17(23)11-10-16-9-8-14-20-15-16/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,21,23)
InChIKeyBGSQUPDEFCAECH-UHFFFAOYSA-N
XLogP2.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide
CID 119743937
N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide
CID 55983584
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-pyridin-3-ylpropanamide
CID 27533114
N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide
CID 177435209
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid;dihydrochloride
CID 53422261
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide
CID 115271554
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43132383
ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide
CID 159498879

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide (CID 86821414) is N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide is CCN(CC)C(=O)C1(NC(=O)CCc2cccnc2)CCCCC1.
What is the InChIKey of N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide?
The InChIKey is BGSQUPDEFCAECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-22(4-2)18(24)19(12-6-5-7-13-19)21-17(23)11-10-16-9-8-14-20-15-16/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,21,23).
What are the key properties of N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide?
N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 86821414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).