trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid

C14H18N2O3 — CID 97161380

IUPACtrans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
SMILESO=C(N[C@@H]1CCCCC[C@H]1C(=O)O)c1cccnc1
InChIInChI=1S/C14H18N2O3/c17-13(10-5-4-8-15-9-10)16-12-7-3-1-2-6-11(12)14(18)19/h4-5,8-9,11-12H,1-3,6-7H2,(H,16,17)(H,18,19)/t11-,12-/m1/s1
InChIKeyUBDNXUPISHVSPX-VXGBXAGGSA-N
MW262.31 g/mol
LogP1.84
Rot. Bonds3

About trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid

trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid (PubChem CID 97161380) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
PubChem CID97161380
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nametrans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
SMILESO=C(N[C@@H]1CCCCC[C@H]1C(=O)O)c1cccnc1
InChIInChI=1S/C14H18N2O3/c17-13(10-5-4-8-15-9-10)16-12-7-3-1-2-6-11(12)14(18)19/h4-5,8-9,11-12H,1-3,6-7H2,(H,16,17)(H,18,19)/t11-,12-/m1/s1
InChIKeyUBDNXUPISHVSPX-VXGBXAGGSA-N
XLogP1.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-methyl (1S,2S)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylate
CID 97053849
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-cyclopentylpyridine-3-carboxamide
CID 805532
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 104785617
2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid
CID 120532910
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
2-[(5-hydroxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813924
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid (CID 97161380) is trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid is O=C(N[C@@H]1CCCCC[C@H]1C(=O)O)c1cccnc1.
What is the InChIKey of trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid?
The InChIKey is UBDNXUPISHVSPX-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(10-5-4-8-15-9-10)16-12-7-3-1-2-6-11(12)14(18)19/h4-5,8-9,11-12H,1-3,6-7H2,(H,16,17)(H,18,19)/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid?
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 97161380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).