2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide

C13H21N3O3 — CID 114325701

IUPAC2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O3/c1-18-7-5-16(6-8-19-2)13(17)11-3-4-15-12(9-11)10-14/h3-4,9H,5-8,10,14H2,1-2H3
InChIKeyVHBXOHNNIYIZLX-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.28
Rot. Bonds8

About 2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide

2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide (PubChem CID 114325701) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
PubChem CID114325701
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O3/c1-18-7-5-16(6-8-19-2)13(17)11-3-4-15-12(9-11)10-14/h3-4,9H,5-8,10,14H2,1-2H3
InChIKeyVHBXOHNNIYIZLX-UHFFFAOYSA-N
XLogP0.28
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730064
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide
CID 106754271
2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone
CID 116601798
2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 114325556
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285
2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide
CID 113277862
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 113277873
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 114326521

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide (CID 114325701) is 2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide is COCCN(CCOC)C(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide?
The InChIKey is VHBXOHNNIYIZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-18-7-5-16(6-8-19-2)13(17)11-3-4-15-12(9-11)10-14/h3-4,9H,5-8,10,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide?
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).