6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide

C15H18ClN5O2 — CID 136523476

IUPAC6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cnn(CCN2CCOCC2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C15H18ClN5O2/c16-14-2-1-12(9-17-14)15(22)19-13-10-18-21(11-13)4-3-20-5-7-23-8-6-20/h1-2,9-11H,3-8H2,(H,19,22)
InChIKeyHUXMZHPYUUDPRC-UHFFFAOYSA-N
MW335.80 g/mol
LogP1.52
Rot. Bonds5

About 6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide

6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 136523476) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID136523476
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cnn(CCN2CCOCC2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C15H18ClN5O2/c16-14-2-1-12(9-17-14)15(22)19-13-10-18-21(11-13)4-3-20-5-7-23-8-6-20/h1-2,9-11H,3-8H2,(H,19,22)
InChIKeyHUXMZHPYUUDPRC-UHFFFAOYSA-N
XLogP1.52
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523458
4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523477
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
CID 60526938
6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide
CID 95157187
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 97081561
2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 167752336
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
3-(2,4-difluorophenyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 86949234
6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113237981
6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 47255260

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide (CID 136523476) is 6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide is O=C(Nc1cnn(CCN2CCOCC2)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is HUXMZHPYUUDPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c16-14-2-1-12(9-17-14)15(22)19-13-10-18-21(11-13)4-3-20-5-7-23-8-6-20/h1-2,9-11H,3-8H2,(H,19,22).
What are the key properties of 6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide?
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 335.80 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 136523476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).