N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide

C20H19N3O2 — CID 121408612

IUPACN-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccc2c(c1)N(C1CC1)C(=O)C21CC1
InChIInChI=1S/C20H19N3O2/c1-12-11-21-9-6-15(12)18(24)22-13-2-5-16-17(10-13)23(14-3-4-14)19(25)20(16)7-8-20/h2,5-6,9-11,14H,3-4,7-8H2,1H3,(H,22,24)
InChIKeyNCPOGLQMJAUCBU-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.18
Rot. Bonds3

About N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide

N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide (PubChem CID 121408612) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide
PubChem CID121408612
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccc2c(c1)N(C1CC1)C(=O)C21CC1
InChIInChI=1S/C20H19N3O2/c1-12-11-21-9-6-15(12)18(24)22-13-2-5-16-17(10-13)23(14-3-4-14)19(25)20(16)7-8-20/h2,5-6,9-11,14H,3-4,7-8H2,1H3,(H,22,24)
InChIKeyNCPOGLQMJAUCBU-UHFFFAOYSA-N
XLogP3.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
CID 134814226
5-Pyridin-3-yl-1,3-dihydro-2H-indol-2-one
CID 12050204
N-cyclopropyl-4-methyl-3-(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,1'-cyclopentane]-6-yl)benzamide
CID 44250620
Rhazinicine
CID 639955
N-[(1S)-1-[4-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]phenyl]ethyl]benzamide
CID 145964716
4-(2-Oxo-1-pyrrolidinyl)-N-4-pyridinylbenzamide
CID 17413839
(3E)-3-[(1-benzylpyridin-1-ium-4-yl)methylidene]-1H-indol-2-one bromide
CID 118708829
(3E)-3-[[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]methylidene]-1H-indol-2-one chloride
CID 118708835
N-cyclopropyl-3-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-6-yl)-4-methylbenzamide
CID 44250549
N-cyclopropyl-6-methyl-5-(2-oxospiro[1H-indole-3,1'-cyclopentane]-6-yl)pyridine-3-carboxamide
CID 44251369
N-(4-tert-butylphenyl)-4-(3-(pyrrolidin-1-ylmethyl)pyridin-2-yl)benzamide
CID 44416619
N-[4-(3-methylbutylcarbamoyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57509914

Frequently Asked Questions

What is the IUPAC name of N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide?
The IUPAC name of N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide (CID 121408612) is N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)Nc1ccc2c(c1)N(C1CC1)C(=O)C21CC1.
What is the InChIKey of N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide?
The InChIKey is NCPOGLQMJAUCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-11-21-9-6-15(12)18(24)22-13-2-5-16-17(10-13)23(14-3-4-14)19(25)20(16)7-8-20/h2,5-6,9-11,14H,3-4,7-8H2,1H3,(H,22,24).
What are the key properties of N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide?
N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 121408612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).