N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide

C23H26ClN7O4 — CID 11965420

IUPACN'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3CN(C=O)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)ccc2C1
InChIInChI=1S/C23H26ClN7O4/c1-30-8-6-16-14(11-30)2-4-18(26-16)21(33)28-19-12-31(13-32)9-7-17(19)27-22(34)23(35)29-20-5-3-15(24)10-25-20/h2-5,10,13,17,19H,6-9,11-12H2,1H3,(H,27,34)(H,28,33)(H,25,29,35)/t17-,19+/m0/s1
InChIKeyIXJYSOAEMQVYHR-PKOBYXMFSA-N
MW499.96 g/mol
LogP0.20
Rot. Bonds5

About N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide (PubChem CID 11965420) has the molecular formula C23H26ClN7O4 and a molecular weight of 499.96 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide
PubChem CID11965420
Molecular FormulaC23H26ClN7O4
Molecular Weight499.96 g/mol
Exact Mass499.17
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3CN(C=O)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)ccc2C1
InChIInChI=1S/C23H26ClN7O4/c1-30-8-6-16-14(11-30)2-4-18(26-16)21(33)28-19-12-31(13-32)9-7-17(19)27-22(34)23(35)29-20-5-3-15(24)10-25-20/h2-5,10,13,17,19H,6-9,11-12H2,1H3,(H,27,34)(H,28,33)(H,25,29,35)/t17-,19+/m0/s1
InChIKeyIXJYSOAEMQVYHR-PKOBYXMFSA-N
XLogP0.20
TPSA136.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.96
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide (CID 11965420) is N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide is CN1CCc2nc(C(=O)N[C@@H]3CN(C=O)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)ccc2C1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide?
The InChIKey is IXJYSOAEMQVYHR-PKOBYXMFSA-N. The full InChI is InChI=1S/C23H26ClN7O4/c1-30-8-6-16-14(11-30)2-4-18(26-16)21(33)28-19-12-31(13-32)9-7-17(19)27-22(34)23(35)29-20-5-3-15(24)10-25-20/h2-5,10,13,17,19H,6-9,11-12H2,1H3,(H,27,34)(H,28,33)(H,25,29,35)/t17-,19+/m0/s1.
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide?
N'-(5-chloro-2-pyridinyl)-N-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide has a molecular weight of 499.96 g/mol, XLogP of 0.20, 5 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-[(3R,4S)-1-formyl-3-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]piperidin-4-yl]oxamide is sourced from PubChem (CID 11965420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).