[6-(aminomethyl)-3-pyridinyl]carbamic acid

C7H9N3O2 — CID 118212846

IUPAC[6-(aminomethyl)-3-pyridinyl]carbamic acid
SMILESNCc1ccc(NC(=O)O)cn1
InChIInChI=1S/C7H9N3O2/c8-3-5-1-2-6(4-9-5)10-7(11)12/h1-2,4,10H,3,8H2,(H,11,12)
InChIKeyIDDRSIMIAFDFIZ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.63
Rot. Bonds2

About [6-(aminomethyl)-3-pyridinyl]carbamic acid

[6-(aminomethyl)-3-pyridinyl]carbamic acid (PubChem CID 118212846) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is [6-(aminomethyl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-(aminomethyl)-3-pyridinyl]carbamic acid
PubChem CID118212846
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name[6-(aminomethyl)-3-pyridinyl]carbamic acid
SMILESNCc1ccc(NC(=O)O)cn1
InChIInChI=1S/C7H9N3O2/c8-3-5-1-2-6(4-9-5)10-7(11)12/h1-2,4,10H,3,8H2,(H,11,12)
InChIKeyIDDRSIMIAFDFIZ-UHFFFAOYSA-N
XLogP0.63
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [6-(aminomethyl)-3-pyridinyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
[6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid
CID 139580255
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
(6-acetyl-3-pyridinyl)carbamic acid
CID 121318234
(6-ethynyl-3-pyridinyl)carbamic acid
CID 87204511
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
6-(aminomethyl)-N-tert-butylpyridin-3-amine
CID 115486989
2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340926
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid
CID 107341135

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-3-pyridinyl]carbamic acid?
The IUPAC name of [6-(aminomethyl)-3-pyridinyl]carbamic acid (CID 118212846) is [6-(aminomethyl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-(aminomethyl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-(aminomethyl)-3-pyridinyl]carbamic acid is NCc1ccc(NC(=O)O)cn1.
What is the InChIKey of [6-(aminomethyl)-3-pyridinyl]carbamic acid?
The InChIKey is IDDRSIMIAFDFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-3-5-1-2-6(4-9-5)10-7(11)12/h1-2,4,10H,3,8H2,(H,11,12).
What are the key properties of [6-(aminomethyl)-3-pyridinyl]carbamic acid?
[6-(aminomethyl)-3-pyridinyl]carbamic acid has a molecular weight of 167.17 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 118212846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).