2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide

C22H26N4O3 — CID 117088266

IUPAC2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccnc(-c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C22H26N4O3/c27-21(24-9-10-26-11-13-29-14-12-26)18-7-8-23-20(15-18)16-1-3-17(4-2-16)22(28)25-19-5-6-19/h1-4,7-8,15,19H,5-6,9-14H2,(H,24,27)(H,25,28)
InChIKeyZIEMWHLLNNVQKR-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.70
Rot. Bonds7

About 2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide

2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 117088266) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
PubChem CID117088266
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccnc(-c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C22H26N4O3/c27-21(24-9-10-26-11-13-29-14-12-26)18-7-8-23-20(15-18)16-1-3-17(4-2-16)22(28)25-19-5-6-19/h1-4,7-8,15,19H,5-6,9-14H2,(H,24,27)(H,25,28)
InChIKeyZIEMWHLLNNVQKR-UHFFFAOYSA-N
XLogP1.70
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109078417
N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxamide
CID 117093186
N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119696
5-N-cyclopentyl-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109102673
N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117089399
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide
CID 167003948
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 57383478
N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide
CID 109167966
4-N-(2-morpholin-4-ylethyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078221

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide (CID 117088266) is 2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide is O=C(NCCN1CCOCC1)c1ccnc(-c2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of 2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is ZIEMWHLLNNVQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21(24-9-10-26-11-13-29-14-12-26)18-7-8-23-20(15-18)16-1-3-17(4-2-16)22(28)25-19-5-6-19/h1-4,7-8,15,19H,5-6,9-14H2,(H,24,27)(H,25,28).
What are the key properties of 2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 117088266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).