(1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

C15H22N4O — CID 138016526

IUPAC(1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCc1cc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)cc(C)n1
InChIInChI=1S/C15H22N4O/c1-10-5-12(6-11(2)18-10)7-17-14(20)19-8-13-3-4-15(13,16)9-19/h5-6,13H,3-4,7-9,16H2,1-2H3,(H,17,20)/t13-,15-/m0/s1
InChIKeyXNBAZJQGXBTCPK-ZFWWWQNUSA-N
MW274.37 g/mol
LogP1.33
Rot. Bonds2

About (1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138016526) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138016526
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCc1cc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)cc(C)n1
InChIInChI=1S/C15H22N4O/c1-10-5-12(6-11(2)18-10)7-17-14(20)19-8-13-3-4-15(13,16)9-19/h5-6,13H,3-4,7-9,16H2,1-2H3,(H,17,20)/t13-,15-/m0/s1
InChIKeyXNBAZJQGXBTCPK-ZFWWWQNUSA-N
XLogP1.33
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide with MolForge

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Related Compounds

(1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016497
(1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016510
(1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016546
(1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016603
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128854961
(3aS,6aR)-2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122015201
(1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138006913
1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone
CID 138049910
(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 126433362
cis-(1S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122112666
2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
CID 138805984
(3aS,6aR)-2-[(5-chloro-6-methoxy-3-pyridinyl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122016256

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 138016526) is (1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is Cc1cc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)cc(C)n1.
What is the InChIKey of (1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is XNBAZJQGXBTCPK-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-5-12(6-11(2)18-10)7-17-14(20)19-8-13-3-4-15(13,16)9-19/h5-6,13H,3-4,7-9,16H2,1-2H3,(H,17,20)/t13-,15-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138016526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).