6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide

C19H20N6O3 — CID 95210155

IUPAC6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)nc1
InChIInChI=1S/C19H20N6O3/c20-16(26)12-3-4-15(22-10-12)25-8-5-13(6-9-25)19(14-2-1-7-21-11-14)17(27)23-18(28)24-19/h1-4,7,10-11,13H,5-6,8-9H2,(H2,20,26)(H2,23,24,27,28)/t19-/m0/s1
InChIKeyPEFMMRKIXKUXQF-IBGZPJMESA-N
MW380.41 g/mol
LogP0.53
Rot. Bonds4

About 6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide

6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 95210155) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID95210155
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)nc1
InChIInChI=1S/C19H20N6O3/c20-16(26)12-3-4-15(22-10-12)25-8-5-13(6-9-25)19(14-2-1-7-21-11-14)17(27)23-18(28)24-19/h1-4,7,10-11,13H,5-6,8-9H2,(H2,20,26)(H2,23,24,27,28)/t19-/m0/s1
InChIKeyPEFMMRKIXKUXQF-IBGZPJMESA-N
XLogP0.53
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide (CID 95210155) is 6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide is NC(=O)c1ccc(N2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)nc1.
What is the InChIKey of 6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is PEFMMRKIXKUXQF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N6O3/c20-16(26)12-3-4-15(22-10-12)25-8-5-13(6-9-25)19(14-2-1-7-21-11-14)17(27)23-18(28)24-19/h1-4,7,10-11,13H,5-6,8-9H2,(H2,20,26)(H2,23,24,27,28)/t19-/m0/s1.
What are the key properties of 6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide?
6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95210155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).