6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine

C19H20ClN5 — CID 76773632

IUPAC6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine
SMILESCC1CCCN(c2ccnc3cnc(-c4nc(Cl)ccc4N)cc23)C1
InChIInChI=1S/C19H20ClN5/c1-12-3-2-8-25(11-12)17-6-7-22-16-10-23-15(9-13(16)17)19-14(21)4-5-18(20)24-19/h4-7,9-10,12H,2-3,8,11,21H2,1H3
InChIKeyHXCUQDFPHQPUCE-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.16
Rot. Bonds2

About 6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine

6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine (PubChem CID 76773632) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine
PubChem CID76773632
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine
SMILESCC1CCCN(c2ccnc3cnc(-c4nc(Cl)ccc4N)cc23)C1
InChIInChI=1S/C19H20ClN5/c1-12-3-2-8-25(11-12)17-6-7-22-16-10-23-15(9-13(16)17)19-14(21)4-5-18(20)24-19/h4-7,9-10,12H,2-3,8,11,21H2,1H3
InChIKeyHXCUQDFPHQPUCE-UHFFFAOYSA-N
XLogP4.16
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine?
The IUPAC name of 6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine (CID 76773632) is 6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine is CC1CCCN(c2ccnc3cnc(-c4nc(Cl)ccc4N)cc23)C1.
What is the InChIKey of 6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine?
The InChIKey is HXCUQDFPHQPUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-12-3-2-8-25(11-12)17-6-7-22-16-10-23-15(9-13(16)17)19-14(21)4-5-18(20)24-19/h4-7,9-10,12H,2-3,8,11,21H2,1H3.
What are the key properties of 6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine?
6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine has a molecular weight of 353.86 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(3-methylpiperidin-1-yl)-1,7-naphthyridin-6-yl]pyridin-3-amine is sourced from PubChem (CID 76773632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).