5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid

C13H18N4O3 — CID 81095740

IUPAC5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid
SMILESNCC1CCN(C(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C13H18N4O3/c14-5-9-3-4-17(8-9)13(20)16-7-10-1-2-11(12(18)19)15-6-10/h1-2,6,9H,3-5,7-8,14H2,(H,16,20)(H,18,19)
InChIKeyFNDXMKODSFGZLZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.27
Rot. Bonds4

About 5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81095740) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81095740
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid
SMILESNCC1CCN(C(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C13H18N4O3/c14-5-9-3-4-17(8-9)13(20)16-7-10-1-2-11(12(18)19)15-6-10/h1-2,6,9H,3-5,7-8,14H2,(H,16,20)(H,18,19)
InChIKeyFNDXMKODSFGZLZ-UHFFFAOYSA-N
XLogP0.27
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 102962931
5-[(1,4-diazepane-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81095292
5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 106315685
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654576
5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81096017
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099202
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
5-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 83017675
5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100617
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
4-[[(3-aminopiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 61403953

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid (CID 81095740) is 5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid is NCC1CCN(C(=O)NCc2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is FNDXMKODSFGZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-5-9-3-4-17(8-9)13(20)16-7-10-1-2-11(12(18)19)15-6-10/h1-2,6,9H,3-5,7-8,14H2,(H,16,20)(H,18,19).
What are the key properties of 5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81095740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).