(1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H18N2O — CID 7083370

IUPAC(1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccnc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H18N2O/c1-9-3-2-6-15-13(9)16-14(17)12-8-10-4-5-11(12)7-10/h2-3,6,10-12H,4-5,7-8H2,1H3,(H,15,16,17)/t10-,11-,12-/m0/s1
InChIKeyVMSSNHZUSHHPTL-SRVKXCTJSA-N
MW230.31 g/mol
LogP2.76
Rot. Bonds2

About (1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 7083370) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID7083370
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccnc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H18N2O/c1-9-3-2-6-15-13(9)16-14(17)12-8-10-4-5-11(12)7-10/h2-3,6,10-12H,4-5,7-8H2,1H3,(H,15,16,17)/t10-,11-,12-/m0/s1
InChIKeyVMSSNHZUSHHPTL-SRVKXCTJSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 18107024
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
(1R,2S,4S)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40605958
N-(5-amino-3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 112555408
(1R,2R,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 40532945
(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 98329182
3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid
CID 63261862
(1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 176763932
(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 790200
N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
CID 3142834
(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98280304

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 7083370) is (1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1cccnc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VMSSNHZUSHHPTL-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-3-2-6-15-13(9)16-14(17)12-8-10-4-5-11(12)7-10/h2-3,6,10-12H,4-5,7-8H2,1H3,(H,15,16,17)/t10-,11-,12-/m0/s1.
What are the key properties of (1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 7083370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).