4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide

C22H33N5O2 — CID 22244402

IUPAC4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide
SMILESCCCCCCCNC1CCN(C(=O)Nc2ccnc3ccc(OC)nc23)CC1
InChIInChI=1S/C22H33N5O2/c1-3-4-5-6-7-13-23-17-11-15-27(16-12-17)22(28)25-19-10-14-24-18-8-9-20(29-2)26-21(18)19/h8-10,14,17,23H,3-7,11-13,15-16H2,1-2H3,(H,24,25,28)
InChIKeyQJMXLUQACFNSLJ-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.19
Rot. Bonds9

About 4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide

4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide (PubChem CID 22244402) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide
PubChem CID22244402
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide
SMILESCCCCCCCNC1CCN(C(=O)Nc2ccnc3ccc(OC)nc23)CC1
InChIInChI=1S/C22H33N5O2/c1-3-4-5-6-7-13-23-17-11-15-27(16-12-17)22(28)25-19-10-14-24-18-8-9-20(29-2)26-21(18)19/h8-10,14,17,23H,3-7,11-13,15-16H2,1-2H3,(H,24,25,28)
InChIKeyQJMXLUQACFNSLJ-UHFFFAOYSA-N
XLogP4.19
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide (CID 22244402) is 4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide is CCCCCCCNC1CCN(C(=O)Nc2ccnc3ccc(OC)nc23)CC1.
What is the InChIKey of 4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide?
The InChIKey is QJMXLUQACFNSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-3-4-5-6-7-13-23-17-11-15-27(16-12-17)22(28)25-19-10-14-24-18-8-9-20(29-2)26-21(18)19/h8-10,14,17,23H,3-7,11-13,15-16H2,1-2H3,(H,24,25,28).
What are the key properties of 4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide?
4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 22244402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).