N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide

C18H15ClN4O — CID 88965073

IUPACN-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide
SMILESO=CNc1cc(-c2cccc(NCc3ccccc3)n2)c(Cl)cn1
InChIInChI=1S/C18H15ClN4O/c19-15-11-21-18(22-12-24)9-14(15)16-7-4-8-17(23-16)20-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,20,23)(H,21,22,24)
InChIKeyUIZXTAQJZGTTOM-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.98
Rot. Bonds6

About N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide

N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide (PubChem CID 88965073) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide
PubChem CID88965073
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide
SMILESO=CNc1cc(-c2cccc(NCc3ccccc3)n2)c(Cl)cn1
InChIInChI=1S/C18H15ClN4O/c19-15-11-21-18(22-12-24)9-14(15)16-7-4-8-17(23-16)20-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,20,23)(H,21,22,24)
InChIKeyUIZXTAQJZGTTOM-UHFFFAOYSA-N
XLogP3.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide?
The IUPAC name of N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide (CID 88965073) is N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide.
What is the SMILES notation for N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide?
The canonical SMILES for N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide is O=CNc1cc(-c2cccc(NCc3ccccc3)n2)c(Cl)cn1.
What is the InChIKey of N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide?
The InChIKey is UIZXTAQJZGTTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-15-11-21-18(22-12-24)9-14(15)16-7-4-8-17(23-16)20-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide?
N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide has a molecular weight of 338.80 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide is sourced from PubChem (CID 88965073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).