1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide

C26H31ClN6O — CID 87241821

IUPAC1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCC1)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1
InChIInChI=1S/C26H31ClN6O/c27-24-17-20(4-10-29-24)23-16-21-18-28-9-5-22(21)25(31-23)33-14-6-19(7-15-33)26(34)30-8-3-13-32-11-1-2-12-32/h4-5,9-10,16-19H,1-3,6-8,11-15H2,(H,30,34)
InChIKeyIMOWVCYWDZVAHE-UHFFFAOYSA-N
MW479.03 g/mol
LogP4.16
Rot. Bonds7

About 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide

1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 87241821) has the molecular formula C26H31ClN6O and a molecular weight of 479.03 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID87241821
Molecular FormulaC26H31ClN6O
Molecular Weight479.03 g/mol
Exact Mass478.22
IUPAC Name1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCC1)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1
InChIInChI=1S/C26H31ClN6O/c27-24-17-20(4-10-29-24)23-16-21-18-28-9-5-22(21)25(31-23)33-14-6-19(7-15-33)26(34)30-8-3-13-32-11-1-2-12-32/h4-5,9-10,16-19H,1-3,6-8,11-15H2,(H,30,34)
InChIKeyIMOWVCYWDZVAHE-UHFFFAOYSA-N
XLogP4.16
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.03
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide (CID 87241821) is 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide is O=C(NCCCN1CCCC1)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1.
What is the InChIKey of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is IMOWVCYWDZVAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O/c27-24-17-20(4-10-29-24)23-16-21-18-28-9-5-22(21)25(31-23)33-14-6-19(7-15-33)26(34)30-8-3-13-32-11-1-2-12-32/h4-5,9-10,16-19H,1-3,6-8,11-15H2,(H,30,34).
What are the key properties of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 479.03 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 87241821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).