N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide

C19H21N5O2 — CID 109168139

IUPACN-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccnc(NCCN2CCOCC2)c1
InChIInChI=1S/C19H21N5O2/c20-14-16-3-1-2-4-17(16)23-19(25)15-5-6-21-18(13-15)22-7-8-24-9-11-26-12-10-24/h1-6,13H,7-12H2,(H,21,22)(H,23,25)
InChIKeyBTOZMMMYBSKALK-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.95
Rot. Bonds6

About N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide

N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide (PubChem CID 109168139) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
PubChem CID109168139
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccnc(NCCN2CCOCC2)c1
InChIInChI=1S/C19H21N5O2/c20-14-16-3-1-2-4-17(16)23-19(25)15-5-6-21-18(13-15)22-7-8-24-9-11-26-12-10-24/h1-6,13H,7-12H2,(H,21,22)(H,23,25)
InChIKeyBTOZMMMYBSKALK-UHFFFAOYSA-N
XLogP1.95
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168019
N-(2-ethoxyphenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168105
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168130
2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857711
2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109168033
[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109168056
N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944134
N-(2-cyanophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082943
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109168044
2-(2-methoxyethylamino)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109166957
N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168036
N-(2-cyanophenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109173760

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide (CID 109168139) is N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide is N#Cc1ccccc1NC(=O)c1ccnc(NCCN2CCOCC2)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide?
The InChIKey is BTOZMMMYBSKALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-14-16-3-1-2-4-17(16)23-19(25)15-5-6-21-18(13-15)22-7-8-24-9-11-26-12-10-24/h1-6,13H,7-12H2,(H,21,22)(H,23,25).
What are the key properties of N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide?
N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109168139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).