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

C26H28N4O3S — CID 3211280

IUPACN-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCCC1)c1cccnc1)c1cccs1
InChIInChI=1S/C26H28N4O3S/c31-23(18-28-25(32)22-14-8-16-34-22)30(21-12-5-2-6-13-21)24(19-9-7-15-27-17-19)26(33)29-20-10-3-1-4-11-20/h2,5-9,12-17,20,24H,1,3-4,10-11,18H2,(H,28,32)(H,29,33)
InChIKeyVPSFAWSKIAKMOX-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.10
Rot. Bonds8

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

N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211280) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211280
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC NameN-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCCC1)c1cccnc1)c1cccs1
InChIInChI=1S/C26H28N4O3S/c31-23(18-28-25(32)22-14-8-16-34-22)30(21-12-5-2-6-13-21)24(19-9-7-15-27-17-19)26(33)29-20-10-3-1-4-11-20/h2,5-9,12-17,20,24H,1,3-4,10-11,18H2,(H,28,32)(H,29,33)
InChIKeyVPSFAWSKIAKMOX-UHFFFAOYSA-N
XLogP4.10
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3211280) is N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCCC1)c1cccnc1)c1cccs1.
What is the InChIKey of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is VPSFAWSKIAKMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c31-23(18-28-25(32)22-14-8-16-34-22)30(21-12-5-2-6-13-21)24(19-9-7-15-27-17-19)26(33)29-20-10-3-1-4-11-20/h2,5-9,12-17,20,24H,1,3-4,10-11,18H2,(H,28,32)(H,29,33).
What are the key properties of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).