4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide

C12H18N4O2 — CID 133443007

IUPAC4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
SMILESCN1CCOC(CNc2ccncc2C(N)=O)C1
InChIInChI=1S/C12H18N4O2/c1-16-4-5-18-9(8-16)6-15-11-2-3-14-7-10(11)12(13)17/h2-3,7,9H,4-6,8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyLJPNPVLWYYTOHT-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.08
Rot. Bonds4

About 4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide

4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide (PubChem CID 133443007) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
PubChem CID133443007
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
SMILESCN1CCOC(CNc2ccncc2C(N)=O)C1
InChIInChI=1S/C12H18N4O2/c1-16-4-5-18-9(8-16)6-15-11-2-3-14-7-10(11)12(13)17/h2-3,7,9H,4-6,8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyLJPNPVLWYYTOHT-UHFFFAOYSA-N
XLogP-0.08
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide
CID 79071800
6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide
CID 131896641
4-methyl-2-[(4-methylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 79071627
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate
CID 79071225
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999
formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide
CID 171686529
2-[(4-methylmorpholin-2-yl)methylamino]-5-nitrobenzoic acid
CID 79082131
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
CID 114399235
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 79071213
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 79071328
2-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2,3-diamine
CID 79082098
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid
CID 79072368

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide (CID 133443007) is 4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide is CN1CCOC(CNc2ccncc2C(N)=O)C1.
What is the InChIKey of 4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is LJPNPVLWYYTOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16-4-5-18-9(8-16)6-15-11-2-3-14-7-10(11)12(13)17/h2-3,7,9H,4-6,8H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide?
4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133443007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).