N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide

C16H24N2O4 — CID 110125877

IUPACN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)[C@@H]1CCCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H24N2O4/c1-3-22-15-11(7-6-10-17-15)16(21)18(2)12-8-4-5-9-13(19)14(12)20/h6-7,10,12-14,19-20H,3-5,8-9H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyBINXLTDHEDDBFV-MGPQQGTHSA-N
MW308.38 g/mol
LogP1.22
Rot. Bonds4

About N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide

N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide (PubChem CID 110125877) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide
PubChem CID110125877
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)[C@@H]1CCCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H24N2O4/c1-3-22-15-11(7-6-10-17-15)16(21)18(2)12-8-4-5-9-13(19)14(12)20/h6-7,10,12-14,19-20H,3-5,8-9H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyBINXLTDHEDDBFV-MGPQQGTHSA-N
XLogP1.22
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
2-ethoxy-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 134005816
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 162628560
benzyl 2-ethoxypyridine-3-carboxylate
CID 2369615
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
CID 19916383
N-butan-2-yl-N-cyclopentyl-2-methoxypyridine-3-carboxamide
CID 46995416
3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
CID 53184953
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
CID 121146196
3-cyclopentyl-1-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134020986
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 51114491
3-ethoxy-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 126798729

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide (CID 110125877) is N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide is CCOc1ncccc1C(=O)N(C)[C@@H]1CCCC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
The InChIKey is BINXLTDHEDDBFV-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-22-15-11(7-6-10-17-15)16(21)18(2)12-8-4-5-9-13(19)14(12)20/h6-7,10,12-14,19-20H,3-5,8-9H2,1-2H3/t12-,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 110125877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).