N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide

C20H24N4O — CID 127666931

IUPACN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1ccnc1C1CCN(C(=O)NC2C3CCc4ccccc4C32)C1
InChIInChI=1S/C20H24N4O/c1-23-11-9-21-19(23)14-8-10-24(12-14)20(25)22-18-16-7-6-13-4-2-3-5-15(13)17(16)18/h2-5,9,11,14,16-18H,6-8,10,12H2,1H3,(H,22,25)
InChIKeyJWZQFEONAYMYCB-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.65
Rot. Bonds2

About N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide

N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 127666931) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID127666931
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1ccnc1C1CCN(C(=O)NC2C3CCc4ccccc4C32)C1
InChIInChI=1S/C20H24N4O/c1-23-11-9-21-19(23)14-8-10-24(12-14)20(25)22-18-16-7-6-13-4-2-3-5-15(13)17(16)18/h2-5,9,11,14,16-18H,6-8,10,12H2,1H3,(H,22,25)
InChIKeyJWZQFEONAYMYCB-UHFFFAOYSA-N
XLogP2.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127982606
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CID 97333282
3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
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2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide
CID 166236817
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
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CID 96576461
N-[2-(1-methylimidazol-2-yl)oxan-4-yl]-2,4,5,6-tetrahydro-1H-3-benzazocine-3-carboxamide
CID 128633399
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 97125171
1-[2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-oxoethyl]cyclobutane-1-carboxylic acid
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(3S)-N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 100867602

Frequently Asked Questions

What is the IUPAC name of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide (CID 127666931) is N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide is Cn1ccnc1C1CCN(C(=O)NC2C3CCc4ccccc4C32)C1.
What is the InChIKey of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is JWZQFEONAYMYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-23-11-9-21-19(23)14-8-10-24(12-14)20(25)22-18-16-7-6-13-4-2-3-5-15(13)17(16)18/h2-5,9,11,14,16-18H,6-8,10,12H2,1H3,(H,22,25).
What are the key properties of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 127666931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).