N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide

C20H23ClN6O5 — CID 58893712

IUPACN'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide
SMILESCN1Cc2cc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)N(C)C)oc2C1
InChIInChI=1S/C20H23ClN6O5/c1-26(2)20(31)13(24-17(28)14-6-11-9-27(3)10-15(11)32-14)8-23-18(29)19(30)25-16-5-4-12(21)7-22-16/h4-7,13H,8-10H2,1-3H3,(H,23,29)(H,24,28)(H,22,25,30)
InChIKeyZNHLJFWADPXQAP-UHFFFAOYSA-N
MW462.89 g/mol
LogP0.21
Rot. Bonds6

About N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide (PubChem CID 58893712) has the molecular formula C20H23ClN6O5 and a molecular weight of 462.89 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide
PubChem CID58893712
Molecular FormulaC20H23ClN6O5
Molecular Weight462.89 g/mol
Exact Mass462.14
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide
SMILESCN1Cc2cc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)N(C)C)oc2C1
InChIInChI=1S/C20H23ClN6O5/c1-26(2)20(31)13(24-17(28)14-6-11-9-27(3)10-15(11)32-14)8-23-18(29)19(30)25-16-5-4-12(21)7-22-16/h4-7,13H,8-10H2,1-3H3,(H,23,29)(H,24,28)(H,22,25,30)
InChIKeyZNHLJFWADPXQAP-UHFFFAOYSA-N
XLogP0.21
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.89
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide (CID 58893712) is N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide is CN1Cc2cc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)N(C)C)oc2C1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide?
The InChIKey is ZNHLJFWADPXQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O5/c1-26(2)20(31)13(24-17(28)14-6-11-9-27(3)10-15(11)32-14)8-23-18(29)19(30)25-16-5-4-12(21)7-22-16/h4-7,13H,8-10H2,1-3H3,(H,23,29)(H,24,28)(H,22,25,30).
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide?
N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide has a molecular weight of 462.89 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-[3-(dimethylamino)-2-[(5-methyl-4,6-dihydrofuro[2,3-c]pyrrole-2-carbonyl)amino]-3-oxopropyl]oxamide is sourced from PubChem (CID 58893712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).