4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide

C17H20ClN5O — CID 84583882

IUPAC4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2CCN(c3cccc(Cl)n3)CC2)ccn1
InChIInChI=1S/C17H20ClN5O/c1-2-19-17(24)14-12-13(6-7-20-14)22-8-10-23(11-9-22)16-5-3-4-15(18)21-16/h3-7,12H,2,8-11H2,1H3,(H,19,24)
InChIKeyMODFASSEVXPNRP-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.21
Rot. Bonds4

About 4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide

4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide (PubChem CID 84583882) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
PubChem CID84583882
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2CCN(c3cccc(Cl)n3)CC2)ccn1
InChIInChI=1S/C17H20ClN5O/c1-2-19-17(24)14-12-13(6-7-20-14)22-8-10-23(11-9-22)16-5-3-4-15(18)21-16/h3-7,12H,2,8-11H2,1H3,(H,19,24)
InChIKeyMODFASSEVXPNRP-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.21
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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Related Compounds

4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 66201616
1-[2-(ethylcarbamoyl)-4-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 63124697
4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63343922
4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 97028948
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
1-[2-(ethylcarbamoyl)-4-pyridinyl]-2-methylpiperidine-4-carboxylic acid
CID 106742554
4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146961

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide (CID 84583882) is 4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(N2CCN(c3cccc(Cl)n3)CC2)ccn1.
What is the InChIKey of 4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide?
The InChIKey is MODFASSEVXPNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-2-19-17(24)14-12-13(6-7-20-14)22-8-10-23(11-9-22)16-5-3-4-15(18)21-16/h3-7,12H,2,8-11H2,1H3,(H,19,24).
What are the key properties of 4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide?
4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 84583882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).