N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide

C21H20ClN5O2 — CID 92634675

IUPACN-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Cn1cc(NC(=O)c2ccccn2)cn1)NCC1(c2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClN5O2/c22-17-6-2-1-5-16(17)21(8-9-21)14-24-19(28)13-27-12-15(11-25-27)26-20(29)18-7-3-4-10-23-18/h1-7,10-12H,8-9,13-14H2,(H,24,28)(H,26,29)
InChIKeyYXJYEAGATHYFAE-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.03
Rot. Bonds7

About N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide

N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 92634675) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID92634675
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC NameN-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Cn1cc(NC(=O)c2ccccn2)cn1)NCC1(c2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClN5O2/c22-17-6-2-1-5-16(17)21(8-9-21)14-24-19(28)13-27-12-15(11-25-27)26-20(29)18-7-3-4-10-23-18/h1-7,10-12H,8-9,13-14H2,(H,24,28)(H,26,29)
InChIKeyYXJYEAGATHYFAE-UHFFFAOYSA-N
XLogP3.03
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110481986
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688
ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate
CID 26324333
N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 92634671
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110444314
N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 92634727
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide
CID 46975477
N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 110248574
1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
CID 95805137
3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 53370702
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide (CID 92634675) is N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide is O=C(Cn1cc(NC(=O)c2ccccn2)cn1)NCC1(c2ccccc2Cl)CC1.
What is the InChIKey of N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is YXJYEAGATHYFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c22-17-6-2-1-5-16(17)21(8-9-21)14-24-19(28)13-27-12-15(11-25-27)26-20(29)18-7-3-4-10-23-18/h1-7,10-12H,8-9,13-14H2,(H,24,28)(H,26,29).
What are the key properties of N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 409.88 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 92634675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).