2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide

C17H18N4O3 — CID 118065368

IUPAC2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCC(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H18N4O3/c1-10(22)13-5-6-18-9-14(13)20-17(24)12-4-7-19-15(8-12)21-16(23)11-2-3-11/h4-11,22H,2-3H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyJRQHXUDMDHJKJZ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.13
Rot. Bonds5

About 2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 118065368) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID118065368
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCC(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H18N4O3/c1-10(22)13-5-6-18-9-14(13)20-17(24)12-4-7-19-15(8-12)21-16(23)11-2-3-11/h4-11,22H,2-3H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyJRQHXUDMDHJKJZ-UHFFFAOYSA-N
XLogP2.13
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide (CID 118065368) is 2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide is CC(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is JRQHXUDMDHJKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10(22)13-5-6-18-9-14(13)20-17(24)12-4-7-19-15(8-12)21-16(23)11-2-3-11/h4-11,22H,2-3H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 118065368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).