N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide

C19H27N3O2 — CID 143375426

IUPACN-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESC/C=C(\C)CC1=CCN(C(C)CNC(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C19H27N3O2/c1-4-14(2)11-16-7-9-22(10-8-16)15(3)12-21-19(24)17-5-6-18(23)20-13-17/h4-7,13,15H,8-12H2,1-3H3,(H,20,23)(H,21,24)/b14-4+
InChIKeyXVBSJZWCEQZIMG-LNKIKWGQSA-N
MW329.44 g/mol
LogP2.48
Rot. Bonds6

About N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 143375426) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID143375426
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESC/C=C(\C)CC1=CCN(C(C)CNC(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C19H27N3O2/c1-4-14(2)11-16-7-9-22(10-8-16)15(3)12-21-19(24)17-5-6-18(23)20-13-17/h4-7,13,15H,8-12H2,1-3H3,(H,20,23)(H,21,24)/b14-4+
InChIKeyXVBSJZWCEQZIMG-LNKIKWGQSA-N
XLogP2.48
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-Aminopiperidin-1-yl)(6-hydroxypyridin-3-yl)methanone
CID 43556202
6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide
CID 24816846
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 4076919
5-Amino-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10263358
N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56710306
2-acetamido-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]acetamide
CID 118738999
N-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-3-yl]acetamide
CID 118741506
1-[2-(2-Oxopyrrolidin-1-yl)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 118742944
1-[2-(Dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 118745778
(3R)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione
CID 10061683
(3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione
CID 10378435
(3R)-3-[(2S)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione
CID 163194998

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide (CID 143375426) is N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide is C/C=C(\C)CC1=CCN(C(C)CNC(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XVBSJZWCEQZIMG-LNKIKWGQSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-14(2)11-16-7-9-22(10-8-16)15(3)12-21-19(24)17-5-6-18(23)20-13-17/h4-7,13,15H,8-12H2,1-3H3,(H,20,23)(H,21,24)/b14-4+.
What are the key properties of N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 143375426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).