N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide

C23H27N5O2 — CID 59541709

IUPACN-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
SMILESCC1CCCN1CCCOc1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1
InChIInChI=1S/C23H27N5O2/c1-18-5-3-12-27(18)13-4-14-30-22-9-7-21(8-10-22)28-17-20(16-25-28)26-23(29)19-6-2-11-24-15-19/h2,6-11,15-18H,3-5,12-14H2,1H3,(H,26,29)
InChIKeyQMLOYMHWEIUGRH-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.77
Rot. Bonds8

About N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide

N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 59541709) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID59541709
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
SMILESCC1CCCN1CCCOc1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1
InChIInChI=1S/C23H27N5O2/c1-18-5-3-12-27(18)13-4-14-30-22-9-7-21(8-10-22)28-17-20(16-25-28)26-23(29)19-6-2-11-24-15-19/h2,6-11,15-18H,3-5,12-14H2,1H3,(H,26,29)
InChIKeyQMLOYMHWEIUGRH-UHFFFAOYSA-N
XLogP3.77
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]pyridine-3-sulfonamide
CID 66933655
N-methyl-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-amine
CID 143805675
1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-4-carboxylic acid;hydrochloride
CID 66933342
[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-piperidin-1-ylmethanone
CID 58186900
[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone;dihydrate
CID 142763044
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-4-carboxamide
CID 59541712
1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]pyrrolidin-2-one
CID 59541716
[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 74819977
1-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]piperidin-2-one
CID 59541730
[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 71622302
N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide
CID 91007127
N-tert-butyl-1-[4-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]phenyl]pyrazole-4-carboxamide
CID 42610477

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide (CID 59541709) is N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide is CC1CCCN1CCCOc1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1.
What is the InChIKey of N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is QMLOYMHWEIUGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-18-5-3-12-27(18)13-4-14-30-22-9-7-21(8-10-22)28-17-20(16-25-28)26-23(29)19-6-2-11-24-15-19/h2,6-11,15-18H,3-5,12-14H2,1H3,(H,26,29).
What are the key properties of N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide?
N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59541709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).