6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide

C28H33FN4O2 — CID 166932320

IUPAC6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(CNC(=O)C1(c2ccc(F)cc2)CCC1)C1C2CC3CC1C(C(=O)Nc1ccncc1)(C3)C2
InChIInChI=1S/C28H33FN4O2/c29-20-4-2-19(3-5-20)27(8-1-9-27)25(34)32-16-23(30)24-18-12-17-13-22(24)28(14-17,15-18)26(35)33-21-6-10-31-11-7-21/h2-7,10-11,17-18,22-24H,1,8-9,12-16,30H2,(H,32,34)(H,31,33,35)
InChIKeyDXKYNTCJNFKBLQ-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.78
Rot. Bonds7

About 6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide

6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 166932320) has the molecular formula C28H33FN4O2 and a molecular weight of 476.60 g/mol. Its IUPAC name is 6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID166932320
Molecular FormulaC28H33FN4O2
Molecular Weight476.60 g/mol
Exact Mass476.26
IUPAC Name6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(CNC(=O)C1(c2ccc(F)cc2)CCC1)C1C2CC3CC1C(C(=O)Nc1ccncc1)(C3)C2
InChIInChI=1S/C28H33FN4O2/c29-20-4-2-19(3-5-20)27(8-1-9-27)25(34)32-16-23(30)24-18-12-17-13-22(24)28(14-17,15-18)26(35)33-21-6-10-31-11-7-21/h2-7,10-11,17-18,22-24H,1,8-9,12-16,30H2,(H,32,34)(H,31,33,35)
InChIKeyDXKYNTCJNFKBLQ-UHFFFAOYSA-N
XLogP3.78
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166932355
4-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yladamantane-1-carboxamide
CID 86763090
3-[1-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-1-methyl-5-(2-methylpropyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 166932325
N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 166932106
N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 166932067
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl]-N-pyridin-4-yladamantane-1-carboxamide
CID 86763121
4-[1-amino-2-[(4-chloro-2,3-dihydro-1H-indene-1-carbonyl)amino]ethyl]-N-pyridin-4-yladamantane-1-carboxamide
CID 86763092
6-[1-amino-2-[[2-(3,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-3,7-dimethyl-N-pyridin-4-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 166932335
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86762959

Frequently Asked Questions

What is the IUPAC name of 6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 166932320) is 6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide is NC(CNC(=O)C1(c2ccc(F)cc2)CCC1)C1C2CC3CC1C(C(=O)Nc1ccncc1)(C3)C2.
What is the InChIKey of 6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is DXKYNTCJNFKBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O2/c29-20-4-2-19(3-5-20)27(8-1-9-27)25(34)32-16-23(30)24-18-12-17-13-22(24)28(14-17,15-18)26(35)33-21-6-10-31-11-7-21/h2-7,10-11,17-18,22-24H,1,8-9,12-16,30H2,(H,32,34)(H,31,33,35).
What are the key properties of 6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide?
6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 166932320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).