9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide

C21H29N3O3 — CID 120984649

IUPAC9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1cc(NC(=O)C2CC3CCCC(C2)C3N)ccc1N1CCCC1=O
InChIInChI=1S/C21H29N3O3/c1-27-18-12-16(7-8-17(18)24-9-3-6-19(24)25)23-21(26)15-10-13-4-2-5-14(11-15)20(13)22/h7-8,12-15,20H,2-6,9-11,22H2,1H3,(H,23,26)
InChIKeyRNDQQRPWKZTNFC-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.91
Rot. Bonds4

About 9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120984649) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120984649
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1cc(NC(=O)C2CC3CCCC(C2)C3N)ccc1N1CCCC1=O
InChIInChI=1S/C21H29N3O3/c1-27-18-12-16(7-8-17(18)24-9-3-6-19(24)25)23-21(26)15-10-13-4-2-5-14(11-15)20(13)22/h7-8,12-15,20H,2-6,9-11,22H2,1H3,(H,23,26)
InChIKeyRNDQQRPWKZTNFC-UHFFFAOYSA-N
XLogP2.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

9-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984328
2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180002
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119724563
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide
CID 119724562
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120989691
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120988225
(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119699368
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
9-amino-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989748
cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide
CID 52537440
3-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 42950225

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120984649) is 9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide is COc1cc(NC(=O)C2CC3CCCC(C2)C3N)ccc1N1CCCC1=O.
What is the InChIKey of 9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is RNDQQRPWKZTNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-27-18-12-16(7-8-17(18)24-9-3-6-19(24)25)23-21(26)15-10-13-4-2-5-14(11-15)20(13)22/h7-8,12-15,20H,2-6,9-11,22H2,1H3,(H,23,26).
What are the key properties of 9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120984649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).