1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide

C15H16ClN3O — CID 127046766

IUPAC1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(=O)NCC)cc(Cl)cn1Cc1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-2-18-15(20)13-8-12(16)10-19(14(13)17)9-11-6-4-3-5-7-11/h3-8,10,17H,2,9H2,1H3,(H,18,20)/b17-14-
InChIKeyABZUKTGXQOQWLY-VKAVYKQESA-N
MW289.77 g/mol
LogP2.42
Rot. Bonds4

About 1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide

1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide (PubChem CID 127046766) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide
PubChem CID127046766
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(=O)NCC)cc(Cl)cn1Cc1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-2-18-15(20)13-8-12(16)10-19(14(13)17)9-11-6-4-3-5-7-11/h3-8,10,17H,2,9H2,1H3,(H,18,20)/b17-14-
InChIKeyABZUKTGXQOQWLY-VKAVYKQESA-N
XLogP2.42
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide (CID 127046766) is 1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(=O)NCC)cc(Cl)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide?
The InChIKey is ABZUKTGXQOQWLY-VKAVYKQESA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-18-15(20)13-8-12(16)10-19(14(13)17)9-11-6-4-3-5-7-11/h3-8,10,17H,2,9H2,1H3,(H,18,20)/b17-14-.
What are the key properties of 1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide?
1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 127046766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).