N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide

C19H30BrN5O — CID 139324712

IUPACN-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide
SMILESCCC(CCNc1ncc(Br)cc1C(=O)/N=C(\C)N)NC1CCCCC1
InChIInChI=1S/C19H30BrN5O/c1-3-15(25-16-7-5-4-6-8-16)9-10-22-18-17(11-14(20)12-23-18)19(26)24-13(2)21/h11-12,15-16,25H,3-10H2,1-2H3,(H,22,23)(H2,21,24,26)
InChIKeyJZJCQTZQOUJJDA-UHFFFAOYSA-N
MW424.39 g/mol
LogP3.86
Rot. Bonds8

About N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide

N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide (PubChem CID 139324712) has the molecular formula C19H30BrN5O and a molecular weight of 424.39 g/mol. Its IUPAC name is N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide
PubChem CID139324712
Molecular FormulaC19H30BrN5O
Molecular Weight424.39 g/mol
Exact Mass423.16
IUPAC NameN-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide
SMILESCCC(CCNc1ncc(Br)cc1C(=O)/N=C(\C)N)NC1CCCCC1
InChIInChI=1S/C19H30BrN5O/c1-3-15(25-16-7-5-4-6-8-16)9-10-22-18-17(11-14(20)12-23-18)19(26)24-13(2)21/h11-12,15-16,25H,3-10H2,1-2H3,(H,22,23)(H2,21,24,26)
InChIKeyJZJCQTZQOUJJDA-UHFFFAOYSA-N
XLogP3.86
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3-(cyclohexylamino)pentylamino]-5-iodopyridine-3-carboxylate
CID 144575420
1-[5-bromo-2-[[3-(cyclohexylamino)-5-hydroxy-4-methylpentyl]amino]-3-pyridinyl]ethanone
CID 139324426
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
N-(1-aminoethylidene)-2-[[3-(cyclohexylamino)-2-(hydroxymethyl)pentyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 123345563
methyl 5-bromo-2-[[3-(cyclohexylamino)-4,4-dimethylpentyl]amino]pyridine-3-carboxylate
CID 144576044
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
1-[5-bromo-2-[[3-(cyclohexylamino)-2-methoxypentyl]amino]-3-pyridinyl]ethanone
CID 144575524
[2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol
CID 144575960
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
5-bromo-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62169500
methyl 2-[[3-[acetyl(cyclohexyl)amino]-4-acetyloxypentyl]amino]-5-bromopyridine-3-carboxylate
CID 139324379
methyl 5-bromo-2-[[4-hydroxy-3-(oxan-4-ylamino)pentyl]amino]pyridine-3-carboxylate
CID 139324896

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide (CID 139324712) is N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide is CCC(CCNc1ncc(Br)cc1C(=O)/N=C(\C)N)NC1CCCCC1.
What is the InChIKey of N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide?
The InChIKey is JZJCQTZQOUJJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN5O/c1-3-15(25-16-7-5-4-6-8-16)9-10-22-18-17(11-14(20)12-23-18)19(26)24-13(2)21/h11-12,15-16,25H,3-10H2,1-2H3,(H,22,23)(H2,21,24,26).
What are the key properties of N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide?
N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide has a molecular weight of 424.39 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide is sourced from PubChem (CID 139324712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).