2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide

C17H22N6O — CID 46901546

IUPAC2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
SMILESCCNc1cc(-c2cc(C(N)=O)cc(N3CCNCC3)n2)ccn1
InChIInChI=1S/C17H22N6O/c1-2-20-15-10-12(3-4-21-15)14-9-13(17(18)24)11-16(22-14)23-7-5-19-6-8-23/h3-4,9-11,19H,2,5-8H2,1H3,(H2,18,24)(H,20,21)
InChIKeyVBWZGQKYVCFADL-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.08
Rot. Bonds5

About 2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide

2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide (PubChem CID 46901546) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
PubChem CID46901546
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
SMILESCCNc1cc(-c2cc(C(N)=O)cc(N3CCNCC3)n2)ccn1
InChIInChI=1S/C17H22N6O/c1-2-20-15-10-12(3-4-21-15)14-9-13(17(18)24)11-16(22-14)23-7-5-19-6-8-23/h3-4,9-11,19H,2,5-8H2,1H3,(H2,18,24)(H,20,21)
InChIKeyVBWZGQKYVCFADL-UHFFFAOYSA-N
XLogP1.08
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide (CID 46901546) is 2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide is CCNc1cc(-c2cc(C(N)=O)cc(N3CCNCC3)n2)ccn1.
What is the InChIKey of 2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide?
The InChIKey is VBWZGQKYVCFADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-2-20-15-10-12(3-4-21-15)14-9-13(17(18)24)11-16(22-14)23-7-5-19-6-8-23/h3-4,9-11,19H,2,5-8H2,1H3,(H2,18,24)(H,20,21).
What are the key properties of 2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide?
2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 46901546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).