[5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid

C16H25N3O4 — CID 66779828

IUPAC[5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid
SMILESCC(C)(C)c1c(CN)cnc(N(C(=O)O)C(=O)O)c1C(C)(C)C
InChIInChI=1S/C16H25N3O4/c1-15(2,3)10-9(7-17)8-18-12(11(10)16(4,5)6)19(13(20)21)14(22)23/h8H,7,17H2,1-6H3,(H,20,21)(H,22,23)
InChIKeyFLZHIIQPGGEYTR-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.30
Rot. Bonds2

About [5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid

[5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid (PubChem CID 66779828) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is [5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid.

Molecular Properties

Compound Name[5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid
PubChem CID66779828
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name[5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid
SMILESCC(C)(C)c1c(CN)cnc(N(C(=O)O)C(=O)O)c1C(C)(C)C
InChIInChI=1S/C16H25N3O4/c1-15(2,3)10-9(7-17)8-18-12(11(10)16(4,5)6)19(13(20)21)14(22)23/h8H,7,17H2,1-6H3,(H,20,21)(H,22,23)
InChIKeyFLZHIIQPGGEYTR-UHFFFAOYSA-N
XLogP3.30
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid?
The IUPAC name of [5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid (CID 66779828) is [5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid.
What is the SMILES notation for [5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid?
The canonical SMILES for [5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid is CC(C)(C)c1c(CN)cnc(N(C(=O)O)C(=O)O)c1C(C)(C)C.
What is the InChIKey of [5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid?
The InChIKey is FLZHIIQPGGEYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-15(2,3)10-9(7-17)8-18-12(11(10)16(4,5)6)19(13(20)21)14(22)23/h8H,7,17H2,1-6H3,(H,20,21)(H,22,23).
What are the key properties of [5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid?
[5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid has a molecular weight of 323.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid is sourced from PubChem (CID 66779828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).