N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide

C17H18ClN5O — CID 162644888

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H18ClN5O/c18-15-6-4-14(5-7-15)13-20-21-17(24)23-11-9-22(10-12-23)16-3-1-2-8-19-16/h1-8,13H,9-12H2,(H,21,24)/b20-13+
InChIKeySVGUUFXJKYXVCE-DEDYPNTBSA-N
MW343.82 g/mol
LogP2.60
Rot. Bonds3

About N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 162644888) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID162644888
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H18ClN5O/c18-15-6-4-14(5-7-15)13-20-21-17(24)23-11-9-22(10-12-23)16-3-1-2-8-19-16/h1-8,13H,9-12H2,(H,21,24)/b20-13+
InChIKeySVGUUFXJKYXVCE-DEDYPNTBSA-N
XLogP2.60
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 162644888) is N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(N/N=C/c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is SVGUUFXJKYXVCE-DEDYPNTBSA-N. The full InChI is InChI=1S/C17H18ClN5O/c18-15-6-4-14(5-7-15)13-20-21-17(24)23-11-9-22(10-12-23)16-3-1-2-8-19-16/h1-8,13H,9-12H2,(H,21,24)/b20-13+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 343.82 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 162644888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).