N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide

C15H18N4O3 — CID 154788571

IUPACN-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cnn(CCC2OCCCO2)c1)c1ccncc1
InChIInChI=1S/C15H18N4O3/c20-15(12-2-5-16-6-3-12)18-13-10-17-19(11-13)7-4-14-21-8-1-9-22-14/h2-3,5-6,10-11,14H,1,4,7-9H2,(H,18,20)
InChIKeyZYVKBYAMXAPSRH-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.68
Rot. Bonds5

About N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide

N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide (PubChem CID 154788571) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide
PubChem CID154788571
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cnn(CCC2OCCCO2)c1)c1ccncc1
InChIInChI=1S/C15H18N4O3/c20-15(12-2-5-16-6-3-12)18-13-10-17-19(11-13)7-4-14-21-8-1-9-22-14/h2-3,5-6,10-11,14H,1,4,7-9H2,(H,18,20)
InChIKeyZYVKBYAMXAPSRH-UHFFFAOYSA-N
XLogP1.68
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 52518675
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180
4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 136578207
4-nitro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145194
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523458
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide (CID 154788571) is N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide is O=C(Nc1cnn(CCC2OCCCO2)c1)c1ccncc1.
What is the InChIKey of N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide?
The InChIKey is ZYVKBYAMXAPSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-15(12-2-5-16-6-3-12)18-13-10-17-19(11-13)7-4-14-21-8-1-9-22-14/h2-3,5-6,10-11,14H,1,4,7-9H2,(H,18,20).
What are the key properties of N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide?
N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-dioxan-2-yl)ethyl]pyrazol-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 154788571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).