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

C11H16N4O3 — CID 54927008

IUPAC2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
SMILESCOc1ncccc1CNC(=O)C(N)CC(N)=O
InChIInChI=1S/C11H16N4O3/c1-18-11-7(3-2-4-14-11)6-15-10(17)8(12)5-9(13)16/h2-4,8H,5-6,12H2,1H3,(H2,13,16)(H,15,17)
InChIKeyKEDZWIJBARHZBM-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.09
Rot. Bonds6

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

2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide (PubChem CID 54927008) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
PubChem CID54927008
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
SMILESCOc1ncccc1CNC(=O)C(N)CC(N)=O
InChIInChI=1S/C11H16N4O3/c1-18-11-7(3-2-4-14-11)6-15-10(17)8(12)5-9(13)16/h2-4,8H,5-6,12H2,1H3,(H2,13,16)(H,15,17)
InChIKeyKEDZWIJBARHZBM-UHFFFAOYSA-N
XLogP-1.09
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949
(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 56741172
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
CID 63306615
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]butanediamide
CID 131861350
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
(2S)-2-amino-N-[(2-hydroxyphenyl)methyl]butanediamide
CID 96913231
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
2-amino-N-(pyridin-2-ylmethyl)butanediamide
CID 60847401
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]butanediamide
CID 93345247

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide?
The IUPAC name of 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide (CID 54927008) is 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide.
What is the SMILES notation for 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide?
The canonical SMILES for 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide is COc1ncccc1CNC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide?
The InChIKey is KEDZWIJBARHZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-18-11-7(3-2-4-14-11)6-15-10(17)8(12)5-9(13)16/h2-4,8H,5-6,12H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide?
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide has a molecular weight of 252.27 g/mol, XLogP of -1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide is sourced from PubChem (CID 54927008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).