N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide

C20H21N5O2 — CID 50821337

IUPACN-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)NCc1cccnc1
InChIInChI=1S/C20H21N5O2/c26-18(22-13-15-6-5-9-21-12-15)14-25-17-8-2-1-7-16(17)19(23-25)20(27)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,13-14H2,(H,22,26)
InChIKeyIVKCLKYMPWFGKO-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.98
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide

N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide (PubChem CID 50821337) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
PubChem CID50821337
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)NCc1cccnc1
InChIInChI=1S/C20H21N5O2/c26-18(22-13-15-6-5-9-21-12-15)14-25-17-8-2-1-7-16(17)19(23-25)20(27)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,13-14H2,(H,22,26)
InChIKeyIVKCLKYMPWFGKO-UHFFFAOYSA-N
XLogP1.98
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 46378636
N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378633
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067927
N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378627
1-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068386
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070651
1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71165066
2-(azepan-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506694
5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109106016
1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid
CID 63106286

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide (CID 50821337) is N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide is O=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
The InChIKey is IVKCLKYMPWFGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-18(22-13-15-6-5-9-21-12-15)14-25-17-8-2-1-7-16(17)19(23-25)20(27)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,13-14H2,(H,22,26).
What are the key properties of N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide is sourced from PubChem (CID 50821337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).