N-(2,3-dihydropyridin-6-ylmethyl)pentanamide

C11H18N2O — CID 91391690

IUPACN-(2,3-dihydropyridin-6-ylmethyl)pentanamide
SMILESCCCCC(=O)NCC1=NCCC=C1
InChIInChI=1S/C11H18N2O/c1-2-3-7-11(14)13-9-10-6-4-5-8-12-10/h4,6H,2-3,5,7-9H2,1H3,(H,13,14)
InChIKeyLIIIVLXVMBXIHM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.69
Rot. Bonds5

About N-(2,3-dihydropyridin-6-ylmethyl)pentanamide

N-(2,3-dihydropyridin-6-ylmethyl)pentanamide (PubChem CID 91391690) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-6-ylmethyl)pentanamide.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-6-ylmethyl)pentanamide
PubChem CID91391690
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(2,3-dihydropyridin-6-ylmethyl)pentanamide
SMILESCCCCC(=O)NCC1=NCCC=C1
InChIInChI=1S/C11H18N2O/c1-2-3-7-11(14)13-9-10-6-4-5-8-12-10/h4,6H,2-3,5,7-9H2,1H3,(H,13,14)
InChIKeyLIIIVLXVMBXIHM-UHFFFAOYSA-N
XLogP1.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one
CID 91425388
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
(3E)-3-ethylidene-N-propyl-4-propylidenepyridine-2-carboxamide
CID 132195393
(Z)-N-(cyclopropylmethyl)-2-ethyliminopent-3-enamide
CID 134479527
(Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide
CID 134479680
N-[(Z)-3-methyliminohept-4-enyl]acetamide
CID 142959972
N-(2,3-dihydropyridin-6-ylmethyl)acetamide
CID 143023357
N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide
CID 143114264
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430516
N-ethyl-4-imino-6-methylhept-5-enamide
CID 144438644
2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide
CID 145277289

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-6-ylmethyl)pentanamide?
The IUPAC name of N-(2,3-dihydropyridin-6-ylmethyl)pentanamide (CID 91391690) is N-(2,3-dihydropyridin-6-ylmethyl)pentanamide.
What is the SMILES notation for N-(2,3-dihydropyridin-6-ylmethyl)pentanamide?
The canonical SMILES for N-(2,3-dihydropyridin-6-ylmethyl)pentanamide is CCCCC(=O)NCC1=NCCC=C1.
What is the InChIKey of N-(2,3-dihydropyridin-6-ylmethyl)pentanamide?
The InChIKey is LIIIVLXVMBXIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-7-11(14)13-9-10-6-4-5-8-12-10/h4,6H,2-3,5,7-9H2,1H3,(H,13,14).
What are the key properties of N-(2,3-dihydropyridin-6-ylmethyl)pentanamide?
N-(2,3-dihydropyridin-6-ylmethyl)pentanamide has a molecular weight of 194.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-6-ylmethyl)pentanamide is sourced from PubChem (CID 91391690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).