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

C12H22N2O — CID 90380826

IUPACN,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)NC(=O)C1=CCN(C(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)13-12(15)11-5-7-14(8-6-11)10(3)4/h5,9-10H,6-8H2,1-4H3,(H,13,15)
InChIKeyUQYGFLBNOQALSE-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.55
Rot. Bonds3

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

N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 90380826) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID90380826
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)NC(=O)C1=CCN(C(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)13-12(15)11-5-7-14(8-6-11)10(3)4/h5,9-10H,6-8H2,1-4H3,(H,13,15)
InChIKeyUQYGFLBNOQALSE-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone
CID 117205955
N-propan-2-ylcyclobutene-1-carboxamide
CID 126994401
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53015775
(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate
CID 90097842
N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide
CID 130668502
4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 117205525
4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122599461
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 70614874
4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774734
(4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate
CID 134434543
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975

Frequently Asked Questions

What is the IUPAC name of N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 90380826) is N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide is CC(C)NC(=O)C1=CCN(C(C)C)CC1.
What is the InChIKey of N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is UQYGFLBNOQALSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)13-12(15)11-5-7-14(8-6-11)10(3)4/h5,9-10H,6-8H2,1-4H3,(H,13,15).
What are the key properties of N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?
N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 90380826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).