N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide

C17H30N4O2 — CID 50956723

IUPACN-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide
SMILESCN(CC1=CCCN(CCNC(N)=O)C1)C(=O)C1CCCCC1
InChIInChI=1S/C17H30N4O2/c1-20(16(22)15-7-3-2-4-8-15)12-14-6-5-10-21(13-14)11-9-19-17(18)23/h6,15H,2-5,7-13H2,1H3,(H3,18,19,23)
InChIKeyOCAYKFKJVIRVQG-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.33
Rot. Bonds6

About N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide (PubChem CID 50956723) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide
PubChem CID50956723
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide
SMILESCN(CC1=CCCN(CCNC(N)=O)C1)C(=O)C1CCCCC1
InChIInChI=1S/C17H30N4O2/c1-20(16(22)15-7-3-2-4-8-15)12-14-6-5-10-21(13-14)11-9-19-17(18)23/h6,15H,2-5,7-13H2,1H3,(H3,18,19,23)
InChIKeyOCAYKFKJVIRVQG-UHFFFAOYSA-N
XLogP1.33
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide (CID 50956723) is N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide is CN(CC1=CCCN(CCNC(N)=O)C1)C(=O)C1CCCCC1.
What is the InChIKey of N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide?
The InChIKey is OCAYKFKJVIRVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-20(16(22)15-7-3-2-4-8-15)12-14-6-5-10-21(13-14)11-9-19-17(18)23/h6,15H,2-5,7-13H2,1H3,(H3,18,19,23).
What are the key properties of N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide?
N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(carbamoylamino)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 50956723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).