3-amino-3-(4-amino-3-pyridinyl)propanamide

C8H12N4O — CID 55255993

IUPAC3-amino-3-(4-amino-3-pyridinyl)propanamide
SMILESNC(=O)CC(N)c1cnccc1N
InChIInChI=1S/C8H12N4O/c9-6-1-2-12-4-5(6)7(10)3-8(11)13/h1-2,4,7H,3,10H2,(H2,9,12)(H2,11,13)
InChIKeyVPVLYLQCYAVENH-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.46
Rot. Bonds3

About 3-amino-3-(4-amino-3-pyridinyl)propanamide

3-amino-3-(4-amino-3-pyridinyl)propanamide (PubChem CID 55255993) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-amino-3-(4-amino-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(4-amino-3-pyridinyl)propanamide
PubChem CID55255993
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-amino-3-(4-amino-3-pyridinyl)propanamide
SMILESNC(=O)CC(N)c1cnccc1N
InChIInChI=1S/C8H12N4O/c9-6-1-2-12-4-5(6)7(10)3-8(11)13/h1-2,4,7H,3,10H2,(H2,9,12)(H2,11,13)
InChIKeyVPVLYLQCYAVENH-UHFFFAOYSA-N
XLogP-0.46
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine
CID 55293108
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
CID 55293779
3-(1-amino-3-ethoxypropyl)pyridin-4-amine
CID 106815066
3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine
CID 116661348
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55278233
1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol
CID 103090078
2-(4-methyl-3-pyridinyl)butanamide
CID 67406036
1-(4-amino-3-pyridinyl)-2-phenylethanol
CID 54064798
3-amino-3-(2,3,4-trimethylphenyl)propanamide
CID 116850990
2-amino-2-(3-amino-4-pyridinyl)acetic acid
CID 55292640

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-amino-3-pyridinyl)propanamide?
The IUPAC name of 3-amino-3-(4-amino-3-pyridinyl)propanamide (CID 55255993) is 3-amino-3-(4-amino-3-pyridinyl)propanamide.
What is the SMILES notation for 3-amino-3-(4-amino-3-pyridinyl)propanamide?
The canonical SMILES for 3-amino-3-(4-amino-3-pyridinyl)propanamide is NC(=O)CC(N)c1cnccc1N.
What is the InChIKey of 3-amino-3-(4-amino-3-pyridinyl)propanamide?
The InChIKey is VPVLYLQCYAVENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-6-1-2-12-4-5(6)7(10)3-8(11)13/h1-2,4,7H,3,10H2,(H2,9,12)(H2,11,13).
What are the key properties of 3-amino-3-(4-amino-3-pyridinyl)propanamide?
3-amino-3-(4-amino-3-pyridinyl)propanamide has a molecular weight of 180.21 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-amino-3-pyridinyl)propanamide is sourced from PubChem (CID 55255993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).