N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide

C19H29ClN4O2 — CID 110178520

IUPACN-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide
SMILESNc1nc(OCCN2CCCCC2)ccc1NC(=O)C1CCC(Cl)CC1
InChIInChI=1S/C19H29ClN4O2/c20-15-6-4-14(5-7-15)19(25)22-16-8-9-17(23-18(16)21)26-13-12-24-10-2-1-3-11-24/h8-9,14-15H,1-7,10-13H2,(H2,21,23)(H,22,25)
InChIKeyVLKPEGHICMYWJU-UHFFFAOYSA-N
MW380.92 g/mol
LogP3.26
Rot. Bonds6

About N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide

N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide (PubChem CID 110178520) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide
PubChem CID110178520
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC NameN-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide
SMILESNc1nc(OCCN2CCCCC2)ccc1NC(=O)C1CCC(Cl)CC1
InChIInChI=1S/C19H29ClN4O2/c20-15-6-4-14(5-7-15)19(25)22-16-8-9-17(23-18(16)21)26-13-12-24-10-2-1-3-11-24/h8-9,14-15H,1-7,10-13H2,(H2,21,23)(H,22,25)
InChIKeyVLKPEGHICMYWJU-UHFFFAOYSA-N
XLogP3.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide?
The IUPAC name of N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide (CID 110178520) is N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide?
The canonical SMILES for N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide is Nc1nc(OCCN2CCCCC2)ccc1NC(=O)C1CCC(Cl)CC1.
What is the InChIKey of N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide?
The InChIKey is VLKPEGHICMYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O2/c20-15-6-4-14(5-7-15)19(25)22-16-8-9-17(23-18(16)21)26-13-12-24-10-2-1-3-11-24/h8-9,14-15H,1-7,10-13H2,(H2,21,23)(H,22,25).
What are the key properties of N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide?
N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide has a molecular weight of 380.92 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide is sourced from PubChem (CID 110178520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).