N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide

C15H16BrN3O — CID 104639845

IUPACN-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NCc2ccc(Br)cc2)nc1
InChIInChI=1S/C15H16BrN3O/c1-2-17-13-7-8-14(18-10-13)15(20)19-9-11-3-5-12(16)6-4-11/h3-8,10,17H,2,9H2,1H3,(H,19,20)
InChIKeyQWMXOQFZGUJCIK-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.21
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide

N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide (PubChem CID 104639845) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
PubChem CID104639845
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NCc2ccc(Br)cc2)nc1
InChIInChI=1S/C15H16BrN3O/c1-2-17-13-7-8-14(18-10-13)15(20)19-9-11-3-5-12(16)6-4-11/h3-8,10,17H,2,9H2,1H3,(H,19,20)
InChIKeyQWMXOQFZGUJCIK-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191533
5-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 113436174
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641230
5-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 113436186
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 106050529
5-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641317
5-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102908038

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide (CID 104639845) is N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(C(=O)NCc2ccc(Br)cc2)nc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide?
The InChIKey is QWMXOQFZGUJCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-2-17-13-7-8-14(18-10-13)15(20)19-9-11-3-5-12(16)6-4-11/h3-8,10,17H,2,9H2,1H3,(H,19,20).
What are the key properties of N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide?
N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104639845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).