N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide

C16H23N5O2 — CID 155963261

IUPACN-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCCn1nncc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC(C2)C3)C1
InChIInChI=1S/C16H23N5O2/c1-3-21-13(7-17-19-21)14(22)20-8-10(2)12(9-20)18-15(23)16-4-11(5-16)6-16/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,23)/t10-,11?,12-,16?/m1/s1
InChIKeyKOENEYWPLBYLTB-QZCIIZHISA-N
MW317.39 g/mol
LogP0.67
Rot. Bonds4

About N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide

N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155963261) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID155963261
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCCn1nncc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC(C2)C3)C1
InChIInChI=1S/C16H23N5O2/c1-3-21-13(7-17-19-21)14(22)20-8-10(2)12(9-20)18-15(23)16-4-11(5-16)6-16/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,23)/t10-,11?,12-,16?/m1/s1
InChIKeyKOENEYWPLBYLTB-QZCIIZHISA-N
XLogP0.67
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-4-methyl-1-(1-methyltriazole-4-carbonyl)pyrrolidin-3-yl]bicyclo[2.2.2]octane-1-carboxamide
CID 155964920
(7-ethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-ethyltriazol-4-yl)methanone
CID 128525836
dipotassium;methyl 3-ethyltriazole-4-carboxylate;carbonate
CID 70106482
4-(3-ethyltriazol-4-yl)-4-oxobutanoic acid
CID 84733430
1-(3-ethyltriazol-4-yl)-2,2-dimethylpropan-1-one
CID 126974247
1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone
CID 84735384
(3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 130484446
(4-ethoxyoxan-4-yl)-(3-ethyltriazol-4-yl)methanone
CID 114213083
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 103575707
tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate
CID 119035699
1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722049
2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 128524139

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide (CID 155963261) is N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide is CCn1nncc1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC(C2)C3)C1.
What is the InChIKey of N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is KOENEYWPLBYLTB-QZCIIZHISA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-21-13(7-17-19-21)14(22)20-8-10(2)12(9-20)18-15(23)16-4-11(5-16)6-16/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,23)/t10-,11?,12-,16?/m1/s1.
What are the key properties of N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155963261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).