3-amino-3-pyridin-3-ylpropanamide;methanamine

C9H16N4O — CID 144589077

IUPAC3-amino-3-pyridin-3-ylpropanamide;methanamine
SMILESCN.NC(=O)CC(N)c1cccnc1
InChIInChI=1S/C8H11N3O.CH5N/c9-7(4-8(10)12)6-2-1-3-11-5-6;1-2/h1-3,5,7H,4,9H2,(H2,10,12);2H2,1H3
InChIKeyBEURUYNQCNDPQB-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.47
Rot. Bonds3

About 3-amino-3-pyridin-3-ylpropanamide;methanamine

3-amino-3-pyridin-3-ylpropanamide;methanamine (PubChem CID 144589077) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-3-pyridin-3-ylpropanamide;methanamine.

Molecular Properties

Compound Name3-amino-3-pyridin-3-ylpropanamide;methanamine
PubChem CID144589077
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-3-pyridin-3-ylpropanamide;methanamine
SMILESCN.NC(=O)CC(N)c1cccnc1
InChIInChI=1S/C8H11N3O.CH5N/c9-7(4-8(10)12)6-2-1-3-11-5-6;1-2/h1-3,5,7H,4,9H2,(H2,10,12);2H2,1H3
InChIKeyBEURUYNQCNDPQB-UHFFFAOYSA-N
XLogP-0.47
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
(1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
CID 130868428
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
CID 93341134
3-amino-N',N'-dimethyl-3-pyridin-3-ylpropanehydrazide
CID 116850071
(1R)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine;hydrochloride
CID 171201516
3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride
CID 87951167
(4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane
CID 160853710
2-amino-2-pyridin-3-ylethanol
CID 2734590
2,3-dihydroxybutanedioic acid;methyl (3S)-3-amino-3-pyridin-3-ylpropanoate
CID 158321669
4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid
CID 116938534
3-amino-N-cyclopropyl-3-pyridin-3-ylpropanamide
CID 82077122

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-pyridin-3-ylpropanamide;methanamine?
The IUPAC name of 3-amino-3-pyridin-3-ylpropanamide;methanamine (CID 144589077) is 3-amino-3-pyridin-3-ylpropanamide;methanamine.
What is the SMILES notation for 3-amino-3-pyridin-3-ylpropanamide;methanamine?
The canonical SMILES for 3-amino-3-pyridin-3-ylpropanamide;methanamine is CN.NC(=O)CC(N)c1cccnc1.
What is the InChIKey of 3-amino-3-pyridin-3-ylpropanamide;methanamine?
The InChIKey is BEURUYNQCNDPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.CH5N/c9-7(4-8(10)12)6-2-1-3-11-5-6;1-2/h1-3,5,7H,4,9H2,(H2,10,12);2H2,1H3.
What are the key properties of 3-amino-3-pyridin-3-ylpropanamide;methanamine?
3-amino-3-pyridin-3-ylpropanamide;methanamine has a molecular weight of 196.25 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-pyridin-3-ylpropanamide;methanamine is sourced from PubChem (CID 144589077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).