N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride

C19H24Cl2N4O2S — CID 119941733

IUPACN-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C19H22N4O2S.2ClH/c24-18(10-15-13-26-9-8-21-15)23-17-6-2-1-5-16(17)19(25)22-12-14-4-3-7-20-11-14;;/h1-7,11,15,21H,8-10,12-13H2,(H,22,25)(H,23,24);2*1H
InChIKeyXKVOXCURFFVDDW-UHFFFAOYSA-N
MW443.40 g/mol
LogP2.89
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride

N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride (PubChem CID 119941733) has the molecular formula C19H24Cl2N4O2S and a molecular weight of 443.40 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride
PubChem CID119941733
Molecular FormulaC19H24Cl2N4O2S
Molecular Weight443.40 g/mol
Exact Mass442.10
IUPAC NameN-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C19H22N4O2S.2ClH/c24-18(10-15-13-26-9-8-21-15)23-17-6-2-1-5-16(17)19(25)22-12-14-4-3-7-20-11-14;;/h1-7,11,15,21H,8-10,12-13H2,(H,22,25)(H,23,24);2*1H
InChIKeyXKVOXCURFFVDDW-UHFFFAOYSA-N
XLogP2.89
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936161
N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide
CID 82906473
N-(2-imidazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941058
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 119047422
2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 120565146
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941600
N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114700218
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119679398
4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride
CID 119936426

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride (CID 119941733) is N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride is Cl.Cl.O=C(CC1CSCCN1)Nc1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride?
The InChIKey is XKVOXCURFFVDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S.2ClH/c24-18(10-15-13-26-9-8-21-15)23-17-6-2-1-5-16(17)19(25)22-12-14-4-3-7-20-11-14;;/h1-7,11,15,21H,8-10,12-13H2,(H,22,25)(H,23,24);2*1H.
What are the key properties of N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride?
N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride has a molecular weight of 443.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride is sourced from PubChem (CID 119941733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).