N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

C23H29FN4O2 — CID 146637416

IUPACN-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)Cc3ccc(F)cc3)nc2)C1
InChIInChI=1S/C23H29FN4O2/c1-16(29)27(4)20-11-12-28(15-20)22(30)18-7-10-21(25-14-18)26-23(2,3)13-17-5-8-19(24)9-6-17/h5-10,14,20H,11-13,15H2,1-4H3,(H,25,26)/t20-/m0/s1
InChIKeyMACVPHQBZBTZJK-FQEVSTJZSA-N
MW412.51 g/mol
LogP3.35
Rot. Bonds6

About N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 146637416) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
PubChem CID146637416
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC NameN-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)Cc3ccc(F)cc3)nc2)C1
InChIInChI=1S/C23H29FN4O2/c1-16(29)27(4)20-11-12-28(15-20)22(30)18-7-10-21(25-14-18)26-23(2,3)13-17-5-8-19(24)9-6-17/h5-10,14,20H,11-13,15H2,1-4H3,(H,25,26)/t20-/m0/s1
InChIKeyMACVPHQBZBTZJK-FQEVSTJZSA-N
XLogP3.35
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide 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

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
2-Hydroxy nevirapine
CID 10850461
AF-DX-384
CID 119357
N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788941
Propizepine
CID 112029
Imanixil
CID 216289
N11-Ethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453243
N6,N11-Diethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453254
N6-Methyl-N11-propyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453255
N11-Isopropyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453256

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (CID 146637416) is N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)Cc3ccc(F)cc3)nc2)C1.
What is the InChIKey of N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is MACVPHQBZBTZJK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-16(29)27(4)20-11-12-28(15-20)22(30)18-7-10-21(25-14-18)26-23(2,3)13-17-5-8-19(24)9-6-17/h5-10,14,20H,11-13,15H2,1-4H3,(H,25,26)/t20-/m0/s1.
What are the key properties of N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 412.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 146637416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).