(4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide

C21H29N3O — CID 98274108

IUPAC(4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
SMILESCN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]23)C1
InChIInChI=1S/C21H29N3O/c1-23-10-8-19-15(13-23)6-4-9-24(19)21(25)22-12-18-17-11-14-5-2-3-7-16(14)20(17)18/h2-3,5,7,15,17-20H,4,6,8-13H2,1H3,(H,22,25)/t15-,17-,18-,19-,20+/m1/s1
InChIKeyDGCQWQLUMNDBTB-RUGGUXRKSA-N
MW339.48 g/mol
LogP2.70
Rot. Bonds2

About (4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide

(4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide (PubChem CID 98274108) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is (4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name(4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
PubChem CID98274108
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name(4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
SMILESCN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]23)C1
InChIInChI=1S/C21H29N3O/c1-23-10-8-19-15(13-23)6-4-9-24(19)21(25)22-12-18-17-11-14-5-2-3-7-16(14)20(17)18/h2-3,5,7,15,17-20H,4,6,8-13H2,1H3,(H,22,25)/t15-,17-,18-,19-,20+/m1/s1
InChIKeyDGCQWQLUMNDBTB-RUGGUXRKSA-N
XLogP2.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide with MolForge

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Related Compounds

1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 122007036
N-(4-hydroxy-2-phenylbutyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 110012592
4-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)morpholine-2,4-dicarboxamide
CID 136516118
(2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
CID 129431114
(4aR,8aS)-N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 124622578
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 166226827
N-ethyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine-12-carboxamide
CID 22164263
(4aS,8aR)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 100893934
(1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide
CID 155901269
(4aR,8aS)-N-(4-acetylphenyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 96997650
(4aR,8aS)-N-(2-tert-butylsulfanylethyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 97341693
(4aS,8aR)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 100906866

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide?
The IUPAC name of (4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide (CID 98274108) is (4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide.
What is the SMILES notation for (4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide?
The canonical SMILES for (4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide is CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]23)C1.
What is the InChIKey of (4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide?
The InChIKey is DGCQWQLUMNDBTB-RUGGUXRKSA-N. The full InChI is InChI=1S/C21H29N3O/c1-23-10-8-19-15(13-23)6-4-9-24(19)21(25)22-12-18-17-11-14-5-2-3-7-16(14)20(17)18/h2-3,5,7,15,17-20H,4,6,8-13H2,1H3,(H,22,25)/t15-,17-,18-,19-,20+/m1/s1.
What are the key properties of (4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide?
(4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-N-[[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 98274108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).