methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate

C10H13N3O3 — CID 110488353

IUPACmethyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cncc(N)c1
InChIInChI=1S/C10H13N3O3/c1-16-9(14)2-3-13-10(15)7-4-8(11)6-12-5-7/h4-6H,2-3,11H2,1H3,(H,13,15)
InChIKeyUCXYJQDCOLOSBX-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.04
Rot. Bonds4

About methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate

methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate (PubChem CID 110488353) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate
PubChem CID110488353
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cncc(N)c1
InChIInChI=1S/C10H13N3O3/c1-16-9(14)2-3-13-10(15)7-4-8(11)6-12-5-7/h4-6H,2-3,11H2,1H3,(H,13,15)
InChIKeyUCXYJQDCOLOSBX-UHFFFAOYSA-N
XLogP-0.04
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694530
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 110851643
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
methyl 3-[(3-amino-4-methylbenzoyl)amino]propanoate
CID 43665854
methyl 3-[[3-[[3,5-bis[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]methyl]-5-[(3-methoxy-3-oxopropyl)carbamoyl]benzoyl]amino]propanoate
CID 15840385
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
methyl 3-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55103215
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate
CID 47159745
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
CID 110489648
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate
CID 114045972

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate (CID 110488353) is methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1cncc(N)c1.
What is the InChIKey of methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate?
The InChIKey is UCXYJQDCOLOSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-9(14)2-3-13-10(15)7-4-8(11)6-12-5-7/h4-6H,2-3,11H2,1H3,(H,13,15).
What are the key properties of methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate?
methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate has a molecular weight of 223.23 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 110488353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).