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N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C25H32N4O4S — CID 3211273

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1cccnc1)c1cccs1
InChIInChI=1S/C25H32N4O4S/c30-22(16-27-24(31)21-11-6-14-34-21)29(17-20-10-5-13-33-20)23(18-7-4-12-26-15-18)25(32)28-19-8-2-1-3-9-19/h4,6-7,11-12,14-15,19-20,23H,1-3,5,8-10,13,16-17H2,(H,27,31)(H,28,32)
InChIKeyWLRVCSPSAIBMLI-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.07
Rot. Bonds9

About N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211273) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211273
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1cccnc1)c1cccs1
InChIInChI=1S/C25H32N4O4S/c30-22(16-27-24(31)21-11-6-14-34-21)29(17-20-10-5-13-33-20)23(18-7-4-12-26-15-18)25(32)28-19-8-2-1-3-9-19/h4,6-7,11-12,14-15,19-20,23H,1-3,5,8-10,13,16-17H2,(H,27,31)(H,28,32)
InChIKeyWLRVCSPSAIBMLI-UHFFFAOYSA-N
XLogP3.07
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 3211273) is N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1cccnc1)c1cccs1.
What is the InChIKey of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is WLRVCSPSAIBMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c30-22(16-27-24(31)21-11-6-14-34-21)29(17-20-10-5-13-33-20)23(18-7-4-12-26-15-18)25(32)28-19-8-2-1-3-9-19/h4,6-7,11-12,14-15,19-20,23H,1-3,5,8-10,13,16-17H2,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 484.62 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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