N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide

C18H26N4O2 — CID 146430082

IUPACN-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(C)N3)C1
InChIInChI=1S/C18H26N4O2/c1-12(23)21(4)15-6-8-22(11-15)17(24)14-9-13-5-7-18(2,3)20-16(13)19-10-14/h9-10,15H,5-8,11H2,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyOEHLQWKPULFSCZ-HNNXBMFYSA-N
MW330.43 g/mol
LogP1.91
Rot. Bonds2

About N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide

N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 146430082) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID146430082
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(C)N3)C1
InChIInChI=1S/C18H26N4O2/c1-12(23)21(4)15-6-8-22(11-15)17(24)14-9-13-5-7-18(2,3)20-16(13)19-10-14/h9-10,15H,5-8,11H2,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyOEHLQWKPULFSCZ-HNNXBMFYSA-N
XLogP1.91
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
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CID 135905416
N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10645210
N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10764021
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CID 146592641
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CID 44527525
N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040782
6-amino-1,3-dimethyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidine-2,4-dione
CID 8934584
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
3-{2-Ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}propanamide
CID 470720

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide (CID 146430082) is N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(C)N3)C1.
What is the InChIKey of N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is OEHLQWKPULFSCZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(23)21(4)15-6-8-22(11-15)17(24)14-9-13-5-7-18(2,3)20-16(13)19-10-14/h9-10,15H,5-8,11H2,1-4H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide?
N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 330.43 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 146430082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).