N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

C20H20ClF2N5O2 — CID 134506868

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESCCCN(C)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1ccn[nH]1
InChIInChI=1S/C20H20ClF2N5O2/c1-3-10-28(2)18-16(17-8-9-25-27-17)11-13(12-24-18)19(29)26-14-4-6-15(7-5-14)30-20(21,22)23/h4-9,11-12H,3,10H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyZLWMTMNWCTXWOO-UHFFFAOYSA-N
MW435.86 g/mol
LogP4.74
Rot. Bonds8

About N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide (PubChem CID 134506868) has the molecular formula C20H20ClF2N5O2 and a molecular weight of 435.86 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
PubChem CID134506868
Molecular FormulaC20H20ClF2N5O2
Molecular Weight435.86 g/mol
Exact Mass435.13
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESCCCN(C)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1ccn[nH]1
InChIInChI=1S/C20H20ClF2N5O2/c1-3-10-28(2)18-16(17-8-9-25-27-17)11-13(12-24-18)19(29)26-14-4-6-15(7-5-14)30-20(21,22)23/h4-9,11-12H,3,10H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyZLWMTMNWCTXWOO-UHFFFAOYSA-N
XLogP4.74
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.86
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 134506867
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118919395
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 133082086
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 118044927
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118919405
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 123812201
5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(2-methylsulfanylethyl)amino]pyridine-3-carboxamide
CID 145388853
6-[butyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919391
6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide
CID 123668156
N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2S)-3-fluorobutan-2-yl]-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide
CID 161448598
(3R)-N-[4-[chloro(difluoro)methoxy]phenyl]-3-hydroxy-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 146507919
N-[4-[chloro(difluoro)methoxy]phenyl]-3-methyl-1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 156789561

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide (CID 134506868) is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide is CCCN(C)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1ccn[nH]1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is ZLWMTMNWCTXWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N5O2/c1-3-10-28(2)18-16(17-8-9-25-27-17)11-13(12-24-18)19(29)26-14-4-6-15(7-5-14)30-20(21,22)23/h4-9,11-12H,3,10H2,1-2H3,(H,25,27)(H,26,29).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 435.86 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 134506868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).