[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid

C8H11N3O2 — CID 68918958

IUPAC[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid
SMILESNCc1cccnc1CNC(=O)O
InChIInChI=1S/C8H11N3O2/c9-4-6-2-1-3-10-7(6)5-11-8(12)13/h1-3,11H,4-5,9H2,(H,12,13)
InChIKeyISGHVJPVSJGXNM-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.31
Rot. Bonds3

About [3-(aminomethyl)-2-pyridinyl]methylcarbamic acid

[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid (PubChem CID 68918958) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is [3-(aminomethyl)-2-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid
PubChem CID68918958
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid
SMILESNCc1cccnc1CNC(=O)O
InChIInChI=1S/C8H11N3O2/c9-4-6-2-1-3-10-7(6)5-11-8(12)13/h1-3,11H,4-5,9H2,(H,12,13)
InChIKeyISGHVJPVSJGXNM-UHFFFAOYSA-N
XLogP0.31
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid
CID 155209331
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82738139
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
(3-propan-2-ylsulfonyl-2-pyridinyl)methylcarbamic acid
CID 69120624
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119869372
2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82733539
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738334
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
CID 82733555

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-2-pyridinyl]methylcarbamic acid?
The IUPAC name of [3-(aminomethyl)-2-pyridinyl]methylcarbamic acid (CID 68918958) is [3-(aminomethyl)-2-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [3-(aminomethyl)-2-pyridinyl]methylcarbamic acid?
The canonical SMILES for [3-(aminomethyl)-2-pyridinyl]methylcarbamic acid is NCc1cccnc1CNC(=O)O.
What is the InChIKey of [3-(aminomethyl)-2-pyridinyl]methylcarbamic acid?
The InChIKey is ISGHVJPVSJGXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-4-6-2-1-3-10-7(6)5-11-8(12)13/h1-3,11H,4-5,9H2,(H,12,13).
What are the key properties of [3-(aminomethyl)-2-pyridinyl]methylcarbamic acid?
[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid has a molecular weight of 181.19 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-2-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 68918958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).