(pyrrolidin-3-ylamino) pyridine-3-carboxylate

C10H13N3O2 — CID 171084148

IUPAC(pyrrolidin-3-ylamino) pyridine-3-carboxylate
SMILESO=C(ONC1CCNC1)c1cccnc1
InChIInChI=1S/C10H13N3O2/c14-10(8-2-1-4-11-6-8)15-13-9-3-5-12-7-9/h1-2,4,6,9,12-13H,3,5,7H2
InChIKeyYOWPYHFXNDXITC-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.10
Rot. Bonds3

About (pyrrolidin-3-ylamino) pyridine-3-carboxylate

(pyrrolidin-3-ylamino) pyridine-3-carboxylate (PubChem CID 171084148) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (pyrrolidin-3-ylamino) pyridine-3-carboxylate.

Molecular Properties

Compound Name(pyrrolidin-3-ylamino) pyridine-3-carboxylate
PubChem CID171084148
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(pyrrolidin-3-ylamino) pyridine-3-carboxylate
SMILESO=C(ONC1CCNC1)c1cccnc1
InChIInChI=1S/C10H13N3O2/c14-10(8-2-1-4-11-6-8)15-13-9-3-5-12-7-9/h1-2,4,6,9,12-13H,3,5,7H2
InChIKeyYOWPYHFXNDXITC-UHFFFAOYSA-N
XLogP0.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Nicotinic Acid
CID 938
Trigonelline
CID 5570
Oxiniacic Acid
CID 16976
Nicotinate
CID 937
Niacin sodium
CID 23687810
5-Aminonicotinic Acid
CID 354316
CID 117629482
CID 117629482
5-(Methylamino)pyridine-3-carboxylic acid
CID 2050103
5-(1H-pyrrol-1-yl)pyridine-3-carboxylic acid
CID 2050101
3-(Ethoxycarbonyl)pyridin-1-ium-1-olate
CID 253138
4-Aminonicotinic acid
CID 319979
L-Nicotianine
CID 12313328

Frequently Asked Questions

What is the IUPAC name of (pyrrolidin-3-ylamino) pyridine-3-carboxylate?
The IUPAC name of (pyrrolidin-3-ylamino) pyridine-3-carboxylate (CID 171084148) is (pyrrolidin-3-ylamino) pyridine-3-carboxylate.
What is the SMILES notation for (pyrrolidin-3-ylamino) pyridine-3-carboxylate?
The canonical SMILES for (pyrrolidin-3-ylamino) pyridine-3-carboxylate is O=C(ONC1CCNC1)c1cccnc1.
What is the InChIKey of (pyrrolidin-3-ylamino) pyridine-3-carboxylate?
The InChIKey is YOWPYHFXNDXITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(8-2-1-4-11-6-8)15-13-9-3-5-12-7-9/h1-2,4,6,9,12-13H,3,5,7H2.
What are the key properties of (pyrrolidin-3-ylamino) pyridine-3-carboxylate?
(pyrrolidin-3-ylamino) pyridine-3-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (pyrrolidin-3-ylamino) pyridine-3-carboxylate is sourced from PubChem (CID 171084148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).