N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide

C22H24ClN5O3 — CID 66927790

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)c2cccnc2)ccc1OCCN1CCOCC1
InChIInChI=1S/C22H24ClN5O3/c1-27-21(19(23)15-25-27)18-13-17(26-22(29)16-3-2-6-24-14-16)4-5-20(18)31-12-9-28-7-10-30-11-8-28/h2-6,13-15H,7-12H2,1H3,(H,26,29)
InChIKeyWCVPMHLACDNEFL-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.10
Rot. Bonds7

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 66927790) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
PubChem CID66927790
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)c2cccnc2)ccc1OCCN1CCOCC1
InChIInChI=1S/C22H24ClN5O3/c1-27-21(19(23)15-25-27)18-13-17(26-22(29)16-3-2-6-24-14-16)4-5-20(18)31-12-9-28-7-10-30-11-8-28/h2-6,13-15H,7-12H2,1H3,(H,26,29)
InChIKeyWCVPMHLACDNEFL-UHFFFAOYSA-N
XLogP3.10
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(2,6-difluorophenyl)urea
CID 66928601
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide
CID 24815559
N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 66830733
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide
CID 66928346
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 66928588
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 66927767
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide
CID 66928354
3-(4-chloro-1-methylpyrazol-5-yl)-N-(3,4-difluorophenyl)-4-(2-morpholin-4-ylethoxy)aniline
CID 66927948
4-[2-[2-(4-chloro-1-methylpyrazol-5-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]ethyl]piperazine-1-carboxylic acid;N-methylmethanamine
CID 69492655
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 66927775
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 66927919
ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate
CID 66927854

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide (CID 66927790) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide is Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccnc2)ccc1OCCN1CCOCC1.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is WCVPMHLACDNEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-27-21(19(23)15-25-27)18-13-17(26-22(29)16-3-2-6-24-14-16)4-5-20(18)31-12-9-28-7-10-30-11-8-28/h2-6,13-15H,7-12H2,1H3,(H,26,29).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66927790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).