6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride

C19H28ClN5O — CID 22665526

IUPAC6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride
SMILESCCCCC(N)CNc1ccc(C(N)=O)c(Nc2cccc(C)c2)n1.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-3-4-7-14(20)12-22-17-10-9-16(18(21)25)19(24-17)23-15-8-5-6-13(2)11-15;/h5-6,8-11,14H,3-4,7,12,20H2,1-2H3,(H2,21,25)(H2,22,23,24);1H
InChIKeyMEJSEDDECGWVOU-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.58
Rot. Bonds9

About 6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride

6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride (PubChem CID 22665526) has the molecular formula C19H28ClN5O and a molecular weight of 377.92 g/mol. Its IUPAC name is 6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride
PubChem CID22665526
Molecular FormulaC19H28ClN5O
Molecular Weight377.92 g/mol
Exact Mass377.20
IUPAC Name6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride
SMILESCCCCC(N)CNc1ccc(C(N)=O)c(Nc2cccc(C)c2)n1.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-3-4-7-14(20)12-22-17-10-9-16(18(21)25)19(24-17)23-15-8-5-6-13(2)11-15;/h5-6,8-11,14H,3-4,7,12,20H2,1-2H3,(H2,21,25)(H2,22,23,24);1H
InChIKeyMEJSEDDECGWVOU-UHFFFAOYSA-N
XLogP3.58
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 67477026
5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid
CID 3077601
3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide
CID 118097526
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
2-[2-(diaminomethylideneamino)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 18460850
2-[3-(hydroxymethyl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 44540634
1-N-(3-fluorophenyl)hexane-1,2-diamine
CID 83951003
2-[4-(hydroxymethyl)triazol-1-yl]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 70657979
2-amino-5-(3-methylanilino)benzamide
CID 61307453
1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine
CID 83961389
2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 118039077
2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 70657945

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride (CID 22665526) is 6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride is CCCCC(N)CNc1ccc(C(N)=O)c(Nc2cccc(C)c2)n1.Cl.
What is the InChIKey of 6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride?
The InChIKey is MEJSEDDECGWVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.ClH/c1-3-4-7-14(20)12-22-17-10-9-16(18(21)25)19(24-17)23-15-8-5-6-13(2)11-15;/h5-6,8-11,14H,3-4,7,12,20H2,1-2H3,(H2,21,25)(H2,22,23,24);1H.
What are the key properties of 6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride?
6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 3.58, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 22665526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).