N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide

C25H25FN4O3S — CID 3211141

IUPACN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccc(F)cc1)C(C(=O)NC1CCCC1)c1cccnc1)c1cccs1
InChIInChI=1S/C25H25FN4O3S/c26-18-9-11-20(12-10-18)30(22(31)16-28-24(32)21-8-4-14-34-21)23(17-5-3-13-27-15-17)25(33)29-19-6-1-2-7-19/h3-5,8-15,19,23H,1-2,6-7,16H2,(H,28,32)(H,29,33)
InChIKeyDICGDMIAILACPI-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.85
Rot. Bonds8

About N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211141) has the molecular formula C25H25FN4O3S and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211141
Molecular FormulaC25H25FN4O3S
Molecular Weight480.57 g/mol
Exact Mass480.16
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccc(F)cc1)C(C(=O)NC1CCCC1)c1cccnc1)c1cccs1
InChIInChI=1S/C25H25FN4O3S/c26-18-9-11-20(12-10-18)30(22(31)16-28-24(32)21-8-4-14-34-21)23(17-5-3-13-27-15-17)25(33)29-19-6-1-2-7-19/h3-5,8-15,19,23H,1-2,6-7,16H2,(H,28,32)(H,29,33)
InChIKeyDICGDMIAILACPI-UHFFFAOYSA-N
XLogP3.85
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1511238
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CID 24883191
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CID 2965054
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CID 5370237
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CID 25265257
CID 25265257
CID 42606103
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CID 42606104
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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3211141) is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N(c1ccc(F)cc1)C(C(=O)NC1CCCC1)c1cccnc1)c1cccs1.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is DICGDMIAILACPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3S/c26-18-9-11-20(12-10-18)30(22(31)16-28-24(32)21-8-4-14-34-21)23(17-5-3-13-27-15-17)25(33)29-19-6-1-2-7-19/h3-5,8-15,19,23H,1-2,6-7,16H2,(H,28,32)(H,29,33).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 3.85, 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-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).