2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide

C11H16N4O2 — CID 63306615

IUPAC2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
SMILESCc1cccnc1CNC(=O)C(N)CC(N)=O
InChIInChI=1S/C11H16N4O2/c1-7-3-2-4-14-9(7)6-15-11(17)8(12)5-10(13)16/h2-4,8H,5-6,12H2,1H3,(H2,13,16)(H,15,17)
InChIKeyYUAOPTKJOPTBEM-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.79
Rot. Bonds5

About 2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide

2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide (PubChem CID 63306615) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
PubChem CID63306615
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
SMILESCc1cccnc1CNC(=O)C(N)CC(N)=O
InChIInChI=1S/C11H16N4O2/c1-7-3-2-4-14-9(7)6-15-11(17)8(12)5-10(13)16/h2-4,8H,5-6,12H2,1H3,(H2,13,16)(H,15,17)
InChIKeyYUAOPTKJOPTBEM-UHFFFAOYSA-N
XLogP-0.79
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008
2-amino-N-(pyridin-2-ylmethyl)butanediamide
CID 60847401
3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119869372
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
CID 63306295
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 103827683
2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 107438737

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide?
The IUPAC name of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide (CID 63306615) is 2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide.
What is the SMILES notation for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide?
The canonical SMILES for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide is Cc1cccnc1CNC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide?
The InChIKey is YUAOPTKJOPTBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-3-2-4-14-9(7)6-15-11(17)8(12)5-10(13)16/h2-4,8H,5-6,12H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide?
2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide has a molecular weight of 236.28 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide is sourced from PubChem (CID 63306615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).