2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide

C17H18N4O4 — CID 118065154

IUPAC2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1OCCO)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H18N4O4/c22-7-8-25-14-4-5-18-10-13(14)20-17(24)12-3-6-19-15(9-12)21-16(23)11-1-2-11/h3-6,9-11,22H,1-2,7-8H2,(H,20,24)(H,19,21,23)
InChIKeyNOZZORCJVZKEHP-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.45
Rot. Bonds7

About 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 118065154) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID118065154
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1OCCO)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H18N4O4/c22-7-8-25-14-4-5-18-10-13(14)20-17(24)12-3-6-19-15(9-12)21-16(23)11-1-2-11/h3-6,9-11,22H,1-2,7-8H2,(H,20,24)(H,19,21,23)
InChIKeyNOZZORCJVZKEHP-UHFFFAOYSA-N
XLogP1.45
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide (CID 118065154) is 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide is O=C(Nc1cnccc1OCCO)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is NOZZORCJVZKEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-7-8-25-14-4-5-18-10-13(14)20-17(24)12-3-6-19-15(9-12)21-16(23)11-1-2-11/h3-6,9-11,22H,1-2,7-8H2,(H,20,24)(H,19,21,23).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxyethoxy)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 118065154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).