[4-(aminomethyl)-2-pyridinyl]carbamic acid

C7H9N3O2 — CID 154255839

IUPAC[4-(aminomethyl)-2-pyridinyl]carbamic acid
SMILESNCc1ccnc(NC(=O)O)c1
InChIInChI=1S/C7H9N3O2/c8-4-5-1-2-9-6(3-5)10-7(11)12/h1-3H,4,8H2,(H,9,10)(H,11,12)
InChIKeyAXJJYTWHACBVFR-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.63
Rot. Bonds2

About [4-(aminomethyl)-2-pyridinyl]carbamic acid

[4-(aminomethyl)-2-pyridinyl]carbamic acid (PubChem CID 154255839) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is [4-(aminomethyl)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-(aminomethyl)-2-pyridinyl]carbamic acid
PubChem CID154255839
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name[4-(aminomethyl)-2-pyridinyl]carbamic acid
SMILESNCc1ccnc(NC(=O)O)c1
InChIInChI=1S/C7H9N3O2/c8-4-5-1-2-9-6(3-5)10-7(11)12/h1-3H,4,8H2,(H,9,10)(H,11,12)
InChIKeyAXJJYTWHACBVFR-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

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Related Compounds

N-[4-(aminomethyl)-2-pyridinyl]-3,3,3-trifluoropropanamide;2,2,2-trifluoroacetic acid
CID 162328777
N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide
CID 82343940
N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide
CID 171504993
4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
CID 139035417
N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide;hydrochloride
CID 171504992
5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid
CID 2812026
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
N-[4-(aminooxymethyl)-2-pyridinyl]acetamide
CID 45119420
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea
CID 143056768
2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79254832
1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea
CID 82343536

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-pyridinyl]carbamic acid?
The IUPAC name of [4-(aminomethyl)-2-pyridinyl]carbamic acid (CID 154255839) is [4-(aminomethyl)-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-(aminomethyl)-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-(aminomethyl)-2-pyridinyl]carbamic acid is NCc1ccnc(NC(=O)O)c1.
What is the InChIKey of [4-(aminomethyl)-2-pyridinyl]carbamic acid?
The InChIKey is AXJJYTWHACBVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-4-5-1-2-9-6(3-5)10-7(11)12/h1-3H,4,8H2,(H,9,10)(H,11,12).
What are the key properties of [4-(aminomethyl)-2-pyridinyl]carbamic acid?
[4-(aminomethyl)-2-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 [4-(aminomethyl)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 154255839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).