6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide

C19H21N3O — CID 133375608

IUPAC6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCC2C3Cc4ccccc4C23)nc1
InChIInChI=1S/C19H21N3O/c1-22(2)19(23)13-7-8-17(20-10-13)21-11-16-15-9-12-5-3-4-6-14(12)18(15)16/h3-8,10,15-16,18H,9,11H2,1-2H3,(H,20,21)
InChIKeyVYFXGPPNPCJCFZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.78
Rot. Bonds4

About 6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide

6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide (PubChem CID 133375608) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide
PubChem CID133375608
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCC2C3Cc4ccccc4C23)nc1
InChIInChI=1S/C19H21N3O/c1-22(2)19(23)13-7-8-17(20-10-13)21-11-16-15-9-12-5-3-4-6-14(12)18(15)16/h3-8,10,15-16,18H,9,11H2,1-2H3,(H,20,21)
InChIKeyVYFXGPPNPCJCFZ-UHFFFAOYSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide
CID 133375536
6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
N,N-dimethyl-6-(oxan-2-ylmethylamino)pyridine-3-carboxamide
CID 78956243
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-6-methyl-5-nitropyridin-2-amine
CID 133375673
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine
CID 133375697
2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid
CID 115430029
3-[[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-1-(2-ethylsulfonylethyl)-1-methylurea
CID 97058658
6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78958778
6-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-3-carboxamide
CID 115623811
6-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 105418958
N,N-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 78955998
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-2-methylsulfonylaniline
CID 133375641

Frequently Asked Questions

What is the IUPAC name of 6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide (CID 133375608) is 6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCC2C3Cc4ccccc4C23)nc1.
What is the InChIKey of 6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is VYFXGPPNPCJCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-22(2)19(23)13-7-8-17(20-10-13)21-11-16-15-9-12-5-3-4-6-14(12)18(15)16/h3-8,10,15-16,18H,9,11H2,1-2H3,(H,20,21).
What are the key properties of 6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide?
6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 133375608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).