N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide

C8H13N3O — CID 143114264

IUPACN-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide
SMILESNCCNC(=O)C1=NCCC=C1
InChIInChI=1S/C8H13N3O/c9-4-6-11-8(12)7-3-1-2-5-10-7/h1,3H,2,4-6,9H2,(H,11,12)
InChIKeyPVMMOOHCVBVEBZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.54
Rot. Bonds3

About N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide

N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide (PubChem CID 143114264) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide
PubChem CID143114264
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide
SMILESNCCNC(=O)C1=NCCC=C1
InChIInChI=1S/C8H13N3O/c9-4-6-11-8(12)7-3-1-2-5-10-7/h1,3H,2,4-6,9H2,(H,11,12)
InChIKeyPVMMOOHCVBVEBZ-UHFFFAOYSA-N
XLogP-0.54
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide
CID 171990203
(2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide
CID 70224369
N-(2,3-dihydropyridin-6-ylmethyl)pentanamide
CID 91391690
6-imino-2,3-dihydro-1H-azepin-7-one
CID 123178649
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
6-(piperazin-1-ylmethyl)-3H-pyridin-2-one
CID 130175995
N-propan-2-yl-2H-pyrrole-5-carboxamide
CID 134452772
2-N,6-N-dimethyl-2,3-dihydropyridine-2,6-dicarboxamide
CID 137241059
N-[(Z)-3-methyliminohept-4-enyl]acetamide
CID 142959972
N-(2,3-dihydropyridin-6-ylmethyl)acetamide
CID 143023357
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430516

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide (CID 143114264) is N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide is NCCNC(=O)C1=NCCC=C1.
What is the InChIKey of N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide?
The InChIKey is PVMMOOHCVBVEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-4-6-11-8(12)7-3-1-2-5-10-7/h1,3H,2,4-6,9H2,(H,11,12).
What are the key properties of N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide?
N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide has a molecular weight of 167.21 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide is sourced from PubChem (CID 143114264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).