3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide

C29H27N3O2 — CID 154840149

IUPAC3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide
SMILESO=C(NC1C2CCc3ccccc3C21)c1cncc(C(=O)NC2C3CCc4ccccc4C32)c1
InChIInChI=1S/C29H27N3O2/c33-28(31-26-22-11-9-16-5-1-3-7-20(16)24(22)26)18-13-19(15-30-14-18)29(34)32-27-23-12-10-17-6-2-4-8-21(17)25(23)27/h1-8,13-15,22-27H,9-12H2,(H,31,33)(H,32,34)
InChIKeyMPIXSMZZIFUQEL-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.00
Rot. Bonds4

About 3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide

3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide (PubChem CID 154840149) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide
PubChem CID154840149
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide
SMILESO=C(NC1C2CCc3ccccc3C21)c1cncc(C(=O)NC2C3CCc4ccccc4C32)c1
InChIInChI=1S/C29H27N3O2/c33-28(31-26-22-11-9-16-5-1-3-7-20(16)24(22)26)18-13-19(15-30-14-18)29(34)32-27-23-12-10-17-6-2-4-8-21(17)25(23)27/h1-8,13-15,22-27H,9-12H2,(H,31,33)(H,32,34)
InChIKeyMPIXSMZZIFUQEL-UHFFFAOYSA-N
XLogP4.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide
CID 122138076
N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 124620483
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-methyl-3-oxopropanoic acid
CID 122065770
1-[(1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-3-(5-cyano-2-pyridinyl)urea
CID 21356030
N-[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,3,5,6-tetrafluorobenzamide
CID 98556741
1-[2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120552283
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 154840806
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-[4-(aminomethyl)triazol-1-yl]acetamide
CID 166301905
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide
CID 75386042
N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide
CID 97237561
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012775
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide (CID 154840149) is 3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide is O=C(NC1C2CCc3ccccc3C21)c1cncc(C(=O)NC2C3CCc4ccccc4C32)c1.
What is the InChIKey of 3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide?
The InChIKey is MPIXSMZZIFUQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c33-28(31-26-22-11-9-16-5-1-3-7-20(16)24(22)26)18-13-19(15-30-14-18)29(34)32-27-23-12-10-17-6-2-4-8-21(17)25(23)27/h1-8,13-15,22-27H,9-12H2,(H,31,33)(H,32,34).
What are the key properties of 3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide?
3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 154840149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).