(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H18N2O — CID 7471796

IUPAC(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ccccn1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H18N2O/c17-14(13-8-10-4-5-11(13)7-10)16-9-12-3-1-2-6-15-12/h1-3,6,10-11,13H,4-5,7-9H2,(H,16,17)/t10-,11-,13+/m0/s1
InChIKeyWPKAHZWKGMWFDM-GMXVVIOVSA-N
MW230.31 g/mol
LogP2.13
Rot. Bonds3

About (1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 7471796) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID7471796
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ccccn1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H18N2O/c17-14(13-8-10-4-5-11(13)7-10)16-9-12-3-1-2-6-15-12/h1-3,6,10-11,13H,4-5,7-9H2,(H,16,17)/t10-,11-,13+/m0/s1
InChIKeyWPKAHZWKGMWFDM-GMXVVIOVSA-N
XLogP2.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(2R,3S)-3-(pyridin-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635560
cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate
CID 6949299
(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98730671
(1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 98119416
2-[4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115457463
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 134046553
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
4-(methylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66266558
N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47086396

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 7471796) is (1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCc1ccccn1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WPKAHZWKGMWFDM-GMXVVIOVSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(13-8-10-4-5-11(13)7-10)16-9-12-3-1-2-6-15-12/h1-3,6,10-11,13H,4-5,7-9H2,(H,16,17)/t10-,11-,13+/m0/s1.
What are the key properties of (1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 7471796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).