N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide

C19H30N2O3 — CID 100775270

IUPACN-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(OC)CCCCCC2)c(C)n1
InChIInChI=1S/C19H30N2O3/c1-4-5-14-24-17-11-10-16(15(2)20-17)21-18(22)19(23-3)12-8-6-7-9-13-19/h10-11H,4-9,12-14H2,1-3H3,(H,21,22)
InChIKeyQRHPEKNXBHHPOA-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.25
Rot. Bonds7

About N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide

N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide (PubChem CID 100775270) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide
PubChem CID100775270
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(OC)CCCCCC2)c(C)n1
InChIInChI=1S/C19H30N2O3/c1-4-5-14-24-17-11-10-16(15(2)20-17)21-18(22)19(23-3)12-8-6-7-9-13-19/h10-11H,4-9,12-14H2,1-3H3,(H,21,22)
InChIKeyQRHPEKNXBHHPOA-UHFFFAOYSA-N
XLogP4.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100776979
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100776904
N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205969
N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide
CID 100775055
N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100773165
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771052
1-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100777348
1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770113
N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205967
N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100772730
1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771719

Frequently Asked Questions

What is the IUPAC name of N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide?
The IUPAC name of N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide (CID 100775270) is N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide.
What is the SMILES notation for N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide?
The canonical SMILES for N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(OC)CCCCCC2)c(C)n1.
What is the InChIKey of N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide?
The InChIKey is QRHPEKNXBHHPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-5-14-24-17-11-10-16(15(2)20-17)21-18(22)19(23-3)12-8-6-7-9-13-19/h10-11H,4-9,12-14H2,1-3H3,(H,21,22).
What are the key properties of N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide?
N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide is sourced from PubChem (CID 100775270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).