N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide

C22H23ClN6O — CID 23438711

IUPACN-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1cccnc1NC(c1ccncc1)C1CCNCC1
InChIInChI=1S/C22H23ClN6O/c23-19-4-3-17(14-27-19)28-22(30)18-2-1-9-26-21(18)29-20(15-5-10-24-11-6-15)16-7-12-25-13-8-16/h1-6,9-11,14,16,20,25H,7-8,12-13H2,(H,26,29)(H,28,30)
InChIKeyKBGHOQARXIKZRZ-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.93
Rot. Bonds6

About N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide

N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide (PubChem CID 23438711) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide
PubChem CID23438711
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC NameN-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1cccnc1NC(c1ccncc1)C1CCNCC1
InChIInChI=1S/C22H23ClN6O/c23-19-4-3-17(14-27-19)28-22(30)18-2-1-9-26-21(18)29-20(15-5-10-24-11-6-15)16-7-12-25-13-8-16/h1-6,9-11,14,16,20,25H,7-8,12-13H2,(H,26,29)(H,28,30)
InChIKeyKBGHOQARXIKZRZ-UHFFFAOYSA-N
XLogP3.93
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide (CID 23438711) is N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide is O=C(Nc1ccc(Cl)nc1)c1cccnc1NC(c1ccncc1)C1CCNCC1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide?
The InChIKey is KBGHOQARXIKZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O/c23-19-4-3-17(14-27-19)28-22(30)18-2-1-9-26-21(18)29-20(15-5-10-24-11-6-15)16-7-12-25-13-8-16/h1-6,9-11,14,16,20,25H,7-8,12-13H2,(H,26,29)(H,28,30).
What are the key properties of N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide?
N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 23438711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).