2-amino-N-(pyridin-2-ylmethyl)butanediamide

C10H14N4O2 — CID 60847401

IUPAC2-amino-N-(pyridin-2-ylmethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCc1ccccn1
InChIInChI=1S/C10H14N4O2/c11-8(5-9(12)15)10(16)14-6-7-3-1-2-4-13-7/h1-4,8H,5-6,11H2,(H2,12,15)(H,14,16)
InChIKeyIUVZQADPKNPNOI-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.10
Rot. Bonds5

About 2-amino-N-(pyridin-2-ylmethyl)butanediamide

2-amino-N-(pyridin-2-ylmethyl)butanediamide (PubChem CID 60847401) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-amino-N-(pyridin-2-ylmethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(pyridin-2-ylmethyl)butanediamide
PubChem CID60847401
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-amino-N-(pyridin-2-ylmethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCc1ccccn1
InChIInChI=1S/C10H14N4O2/c11-8(5-9(12)15)10(16)14-6-7-3-1-2-4-13-7/h1-4,8H,5-6,11H2,(H2,12,15)(H,14,16)
InChIKeyIUVZQADPKNPNOI-UHFFFAOYSA-N
XLogP-1.10
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
(2S)-2-amino-N-[(2-hydroxyphenyl)methyl]butanediamide
CID 96913231
2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
CID 63306615
[4-[(2S)-2-amino-3-oxo-3-(pyridin-2-ylmethylamino)propyl]phenyl]boronic acid
CID 169082285
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
CID 61284261
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 76975364
3-amino-5-pyridin-2-ylpentanamide
CID 154265454
2-amino-N-(1,3-benzothiazol-2-ylmethyl)butanediamide
CID 61247861
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(pyridin-2-ylmethyl)butanediamide?
The IUPAC name of 2-amino-N-(pyridin-2-ylmethyl)butanediamide (CID 60847401) is 2-amino-N-(pyridin-2-ylmethyl)butanediamide.
What is the SMILES notation for 2-amino-N-(pyridin-2-ylmethyl)butanediamide?
The canonical SMILES for 2-amino-N-(pyridin-2-ylmethyl)butanediamide is NC(=O)CC(N)C(=O)NCc1ccccn1.
What is the InChIKey of 2-amino-N-(pyridin-2-ylmethyl)butanediamide?
The InChIKey is IUVZQADPKNPNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-8(5-9(12)15)10(16)14-6-7-3-1-2-4-13-7/h1-4,8H,5-6,11H2,(H2,12,15)(H,14,16).
What are the key properties of 2-amino-N-(pyridin-2-ylmethyl)butanediamide?
2-amino-N-(pyridin-2-ylmethyl)butanediamide has a molecular weight of 222.25 g/mol, XLogP of -1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(pyridin-2-ylmethyl)butanediamide is sourced from PubChem (CID 60847401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).