N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide

C21H24N6O3 — CID 167919508

IUPACN-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)NCCCc2cn[nH]c2C)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C21H24N6O3/c1-14-15(13-24-27-14)5-4-10-23-21(29)25-17-7-8-18(19(11-17)30-2)26-20(28)16-6-3-9-22-12-16/h3,6-9,11-13H,4-5,10H2,1-2H3,(H,24,27)(H,26,28)(H2,23,25,29)
InChIKeyBFJDVQFFFDZRGG-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.13
Rot. Bonds8

About N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide

N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide (PubChem CID 167919508) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide
PubChem CID167919508
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)NCCCc2cn[nH]c2C)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C21H24N6O3/c1-14-15(13-24-27-14)5-4-10-23-21(29)25-17-7-8-18(19(11-17)30-2)26-20(28)16-6-3-9-22-12-16/h3,6-9,11-13H,4-5,10H2,1-2H3,(H,24,27)(H,26,28)(H2,23,25,29)
InChIKeyBFJDVQFFFDZRGG-UHFFFAOYSA-N
XLogP3.13
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-benzamidobutanoylamino)-2-methoxyphenyl]pyridine-3-carboxamide
CID 33492420
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 62040735
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824
N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 38660436
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
N-[2-methoxy-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]pyridine-3-carboxamide
CID 33491810
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38659868

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide (CID 167919508) is N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide is COc1cc(NC(=O)NCCCc2cn[nH]c2C)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide?
The InChIKey is BFJDVQFFFDZRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-14-15(13-24-27-14)5-4-10-23-21(29)25-17-7-8-18(19(11-17)30-2)26-20(28)16-6-3-9-22-12-16/h3,6-9,11-13H,4-5,10H2,1-2H3,(H,24,27)(H,26,28)(H2,23,25,29).
What are the key properties of N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide?
N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.13, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 167919508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).