N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

C19H24N4O3S — CID 92632244

IUPACN-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCc1cnc(CCNC(=O)Cn2cc(C(=O)NC3CCCC3)ccc2=O)s1
InChIInChI=1S/C19H24N4O3S/c1-13-10-21-17(27-13)8-9-20-16(24)12-23-11-14(6-7-18(23)25)19(26)22-15-4-2-3-5-15/h6-7,10-11,15H,2-5,8-9,12H2,1H3,(H,20,24)(H,22,26)
InChIKeyZPINMYIRGXEAMZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.64
Rot. Bonds7

About N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 92632244) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
PubChem CID92632244
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCc1cnc(CCNC(=O)Cn2cc(C(=O)NC3CCCC3)ccc2=O)s1
InChIInChI=1S/C19H24N4O3S/c1-13-10-21-17(27-13)8-9-20-16(24)12-23-11-14(6-7-18(23)25)19(26)22-15-4-2-3-5-15/h6-7,10-11,15H,2-5,8-9,12H2,1H3,(H,20,24)(H,22,26)
InChIKeyZPINMYIRGXEAMZ-UHFFFAOYSA-N
XLogP1.64
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 92632244) is N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is Cc1cnc(CCNC(=O)Cn2cc(C(=O)NC3CCCC3)ccc2=O)s1.
What is the InChIKey of N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is ZPINMYIRGXEAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-10-21-17(27-13)8-9-20-16(24)12-23-11-14(6-7-18(23)25)19(26)22-15-4-2-3-5-15/h6-7,10-11,15H,2-5,8-9,12H2,1H3,(H,20,24)(H,22,26).
What are the key properties of N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92632244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).