N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide

C14H14BrClN4O — CID 114924258

IUPACN-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccncc2Br)c(Cl)cn1
InChIInChI=1S/C14H14BrClN4O/c1-2-4-18-13-6-9(11(16)8-19-13)14(21)20-12-3-5-17-7-10(12)15/h3,5-8H,2,4H2,1H3,(H,18,19)(H,17,20,21)
InChIKeyUEHMSZWXWBKACJ-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.97
Rot. Bonds5

About N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide

N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide (PubChem CID 114924258) has the molecular formula C14H14BrClN4O and a molecular weight of 369.65 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
PubChem CID114924258
Molecular FormulaC14H14BrClN4O
Molecular Weight369.65 g/mol
Exact Mass368.00
IUPAC NameN-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccncc2Br)c(Cl)cn1
InChIInChI=1S/C14H14BrClN4O/c1-2-4-18-13-6-9(11(16)8-19-13)14(21)20-12-3-5-17-7-10(12)15/h3,5-8H,2,4H2,1H3,(H,18,19)(H,17,20,21)
InChIKeyUEHMSZWXWBKACJ-UHFFFAOYSA-N
XLogP3.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(5-methyl-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 114921617
N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641936
5-chloro-N-(2,4-dibromophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923151
N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114921871
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340
N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide
CID 75390644
N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 103481422
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 114922305
N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 63670386
N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105069309
N-(2,5-dichlorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237097
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114923156

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide (CID 114924258) is N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)Nc2ccncc2Br)c(Cl)cn1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is UEHMSZWXWBKACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN4O/c1-2-4-18-13-6-9(11(16)8-19-13)14(21)20-12-3-5-17-7-10(12)15/h3,5-8H,2,4H2,1H3,(H,18,19)(H,17,20,21).
What are the key properties of N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide?
N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 369.65 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114924258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).