4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one

C21H23N7O — CID 89412749

IUPAC4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one
SMILES[H]/N=C(\c1cccc(N2CCNCC2)n1)c1cc(-c2ccn(C)c(=O)c2)ncc1N
InChIInChI=1S/C21H23N7O/c1-27-8-5-14(11-20(27)29)18-12-15(16(22)13-25-18)21(23)17-3-2-4-19(26-17)28-9-6-24-7-10-28/h2-5,8,11-13,23-24H,6-7,9-10,22H2,1H3/b23-21-
InChIKeyJTJWXHADHDNLOV-LNVKXUELSA-N
MW389.46 g/mol
LogP1.25
Rot. Bonds4

About 4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one

4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one (PubChem CID 89412749) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one
PubChem CID89412749
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one
SMILES[H]/N=C(\c1cccc(N2CCNCC2)n1)c1cc(-c2ccn(C)c(=O)c2)ncc1N
InChIInChI=1S/C21H23N7O/c1-27-8-5-14(11-20(27)29)18-12-15(16(22)13-25-18)21(23)17-3-2-4-19(26-17)28-9-6-24-7-10-28/h2-5,8,11-13,23-24H,6-7,9-10,22H2,1H3/b23-21-
InChIKeyJTJWXHADHDNLOV-LNVKXUELSA-N
XLogP1.25
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one (CID 89412749) is 4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one is [H]/N=C(\c1cccc(N2CCNCC2)n1)c1cc(-c2ccn(C)c(=O)c2)ncc1N.
What is the InChIKey of 4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one?
The InChIKey is JTJWXHADHDNLOV-LNVKXUELSA-N. The full InChI is InChI=1S/C21H23N7O/c1-27-8-5-14(11-20(27)29)18-12-15(16(22)13-25-18)21(23)17-3-2-4-19(26-17)28-9-6-24-7-10-28/h2-5,8,11-13,23-24H,6-7,9-10,22H2,1H3/b23-21-.
What are the key properties of 4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one?
4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one has a molecular weight of 389.46 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one is sourced from PubChem (CID 89412749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).