N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C12H22N2O — CID 90380827

IUPACN,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)NC(=O)N1CC=C(C(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)11-5-7-14(8-6-11)12(15)13-10(3)4/h5,9-10H,6-8H2,1-4H3,(H,13,15)
InChIKeyTYCYQNNYPKPASL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.39
Rot. Bonds2

About N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 90380827) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID90380827
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)NC(=O)N1CC=C(C(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)11-5-7-14(8-6-11)12(15)13-10(3)4/h5,9-10H,6-8H2,1-4H3,(H,13,15)
InChIKeyTYCYQNNYPKPASL-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-[(2E)-2-(2-methylpropylidene)cyclohexyl]-3-propan-2-ylurea
CID 5310788
1-Cyclohexyl-3-(6-methylhept-5-en-2-yl)urea
CID 2871893
1-cyclohexyl-3-[(2E)-3,7-dimethylocta-2,6-dienyl]urea
CID 44755933
1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea
CID 118720728
N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 23273856
3-Cyclohex-2-en-1-yl-1,1-dimethylurea
CID 15112130
3-[1-(Cyclohexen-1-yl)butyl]-1,1-dimethylurea
CID 134915210
N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 126790709
5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 126793933
N-(3-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 126793953
1-Methyl-1-[2-(2-methylpropylidene)cyclohexyl]-3-propan-2-ylurea
CID 2866815
1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea
CID 21027155

Frequently Asked Questions

What is the IUPAC name of N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 90380827) is N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)NC(=O)N1CC=C(C(C)C)CC1.
What is the InChIKey of N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is TYCYQNNYPKPASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)11-5-7-14(8-6-11)12(15)13-10(3)4/h5,9-10H,6-8H2,1-4H3,(H,13,15).
What are the key properties of N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 90380827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).