5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide

C14H21ClN4O2 — CID 114924792

IUPAC5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCCN1CCOC(CNC(=O)c2cc(NC)ncc2Cl)C1
InChIInChI=1S/C14H21ClN4O2/c1-3-19-4-5-21-10(9-19)7-18-14(20)11-6-13(16-2)17-8-12(11)15/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyXPQXOBYWZYOKRW-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.23
Rot. Bonds5

About 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114924792) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID114924792
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCCN1CCOC(CNC(=O)c2cc(NC)ncc2Cl)C1
InChIInChI=1S/C14H21ClN4O2/c1-3-19-4-5-21-10(9-19)7-18-14(20)11-6-13(16-2)17-8-12(11)15/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyXPQXOBYWZYOKRW-UHFFFAOYSA-N
XLogP1.23
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115667178
N-[(4-ethylmorpholin-2-yl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 114401189
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115629793
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 114401197
5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114923351
N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 115869037
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114399696
4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 115629840
4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114398981
2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
CID 39483842
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2,5-dichloropyridine-4-carboxamide
CID 114918645

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide (CID 114924792) is 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide is CCN1CCOC(CNC(=O)c2cc(NC)ncc2Cl)C1.
What is the InChIKey of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is XPQXOBYWZYOKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-3-19-4-5-21-10(9-19)7-18-14(20)11-6-13(16-2)17-8-12(11)15/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114924792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).