3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide

C9H17N3O — CID 91076526

IUPAC3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide
SMILESCC1CCCN=C1NC(=O)CCN
InChIInChI=1S/C9H17N3O/c1-7-3-2-6-11-9(7)12-8(13)4-5-10/h7H,2-6,10H2,1H3,(H,11,12,13)
InChIKeyAEYDERPQBSLCBX-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.28
Rot. Bonds2

About 3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide

3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide (PubChem CID 91076526) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide
PubChem CID91076526
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide
SMILESCC1CCCN=C1NC(=O)CCN
InChIInChI=1S/C9H17N3O/c1-7-3-2-6-11-9(7)12-8(13)4-5-10/h7H,2-6,10H2,1H3,(H,11,12,13)
InChIKeyAEYDERPQBSLCBX-UHFFFAOYSA-N
XLogP0.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one;hydrochloride
CID 21750206
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one
CID 21750207
2-Butyl-4,4-dimethyl-1,5-dihydropyrimidin-6-one
CID 21750211
2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 22898627
N-[(6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl)methyl]acetamide
CID 45120187
2-pentyl-4,5-dihydro-1H-pyrimidin-6-one
CID 67704551
N-[[(3R,4R)-6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl]methyl]acetamide
CID 93512331
4-methyl-2-pentan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 123410253
2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 123475358
N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide
CID 123586564
4-Methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one
CID 123926240
2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 140735915

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide?
The IUPAC name of 3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide (CID 91076526) is 3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide.
What is the SMILES notation for 3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide?
The canonical SMILES for 3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide is CC1CCCN=C1NC(=O)CCN.
What is the InChIKey of 3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide?
The InChIKey is AEYDERPQBSLCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-3-2-6-11-9(7)12-8(13)4-5-10/h7H,2-6,10H2,1H3,(H,11,12,13).
What are the key properties of 3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide?
3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide has a molecular weight of 183.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide is sourced from PubChem (CID 91076526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).