N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide

C27H43N3O — CID 129310479

IUPACN-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide
SMILESC/C=C\c1ncc(NC(=O)C2CCCCCCCC2)c(C2CCCCCCC2)c1NC
InChIInChI=1S/C27H43N3O/c1-3-15-23-26(28-2)25(21-16-11-9-6-10-12-17-21)24(20-29-23)30-27(31)22-18-13-7-4-5-8-14-19-22/h3,15,20-22,28H,4-14,16-19H2,1-2H3,(H,30,31)/b15-3-
InChIKeyTWTOFJSPXPOYCJ-CQPUUCJISA-N
MW425.66 g/mol
LogP7.67
Rot. Bonds5

About N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide

N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide (PubChem CID 129310479) has the molecular formula C27H43N3O and a molecular weight of 425.66 g/mol. Its IUPAC name is N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide.

Molecular Properties

Compound NameN-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide
PubChem CID129310479
Molecular FormulaC27H43N3O
Molecular Weight425.66 g/mol
Exact Mass425.34
IUPAC NameN-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide
SMILESC/C=C\c1ncc(NC(=O)C2CCCCCCCC2)c(C2CCCCCCC2)c1NC
InChIInChI=1S/C27H43N3O/c1-3-15-23-26(28-2)25(21-16-11-9-6-10-12-17-21)24(20-29-23)30-27(31)22-18-13-7-4-5-8-14-19-22/h3,15,20-22,28H,4-14,16-19H2,1-2H3,(H,30,31)/b15-3-
InChIKeyTWTOFJSPXPOYCJ-CQPUUCJISA-N
XLogP7.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.66
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclooctanecarboxamide
CID 146616100
N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide
CID 149314243
N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide
CID 146616155
N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide
CID 139313066
N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide
CID 126486281
N-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)cyclononanecarboxamide
CID 135213240
N-(4-methyl-2,3-dihydrofuro[2,3-b]pyridin-5-yl)cycloheptanecarboxamide
CID 146803946
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide
CID 1452762
N-[4-methyl-5-(methylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 167023085
N-(2-chloro-4-hydrazinylpyrimidin-5-yl)cyclopentanecarboxamide
CID 167327368
N-(5-cyclohexyl-1,3-thiazol-2-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 155186238

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide?
The IUPAC name of N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide (CID 129310479) is N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide.
What is the SMILES notation for N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide?
The canonical SMILES for N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide is C/C=C\c1ncc(NC(=O)C2CCCCCCCC2)c(C2CCCCCCC2)c1NC.
What is the InChIKey of N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide?
The InChIKey is TWTOFJSPXPOYCJ-CQPUUCJISA-N. The full InChI is InChI=1S/C27H43N3O/c1-3-15-23-26(28-2)25(21-16-11-9-6-10-12-17-21)24(20-29-23)30-27(31)22-18-13-7-4-5-8-14-19-22/h3,15,20-22,28H,4-14,16-19H2,1-2H3,(H,30,31)/b15-3-.
What are the key properties of N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide?
N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide has a molecular weight of 425.66 g/mol, XLogP of 7.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide is sourced from PubChem (CID 129310479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).