N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate

C21H22N5O2- — CID 57349583

IUPACN-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate
SMILESCCN(C(=O)[O-])c1cc(NC(c2ccccc2)c2ccccc2)c(N)c(N)n1
InChIInChI=1S/C21H23N5O2/c1-2-26(21(27)28)17-13-16(18(22)20(23)25-17)24-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19H,2,22H2,1H3,(H,27,28)(H3,23,24,25)/p-1
InChIKeyJAPUCOVRGISXLK-UHFFFAOYSA-M
MW376.44 g/mol
LogP2.62
Rot. Bonds6

About N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate

N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate (PubChem CID 57349583) has the molecular formula C21H22N5O2- and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate.

Molecular Properties

Compound NameN-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate
PubChem CID57349583
Molecular FormulaC21H22N5O2-
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC NameN-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate
SMILESCCN(C(=O)[O-])c1cc(NC(c2ccccc2)c2ccccc2)c(N)c(N)n1
InChIInChI=1S/C21H23N5O2/c1-2-26(21(27)28)17-13-16(18(22)20(23)25-17)24-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19H,2,22H2,1H3,(H,27,28)(H3,23,24,25)/p-1
InChIKeyJAPUCOVRGISXLK-UHFFFAOYSA-M
XLogP2.62
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-4-(benzhydrylamino)-5-nitro-2-pyridinyl]-N-ethylcarbamate
CID 57352309
[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid
CID 57376679
(5-amino-3-phenylpyrido[3,4-e][1,2,4]triazin-7-yl)-ethylcarbamic acid
CID 57360529
[6-amino-4-(4-chloroanilino)-5-nitro-2-pyridinyl]-ethylcarbamic acid
CID 57375744
bis(lanthanum(3+));bis(1,10-phenanthroline);hexakis((2R)-2-phenylbutanoate)
CID 139201180
ethyl 3-(benzhydrylamino)benzoate
CID 172748353
3-benzhydryl-1,1-dimethylurea
CID 2228466
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
(2S)-2-(4-phenylphenyl)butanoate
CID 86294889
methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate
CID 66016028
N-benzhydryl-2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylacetamide
CID 3983689
2-(benzhydrylamino)-5-fluorobenzoic acid
CID 71762912

Frequently Asked Questions

What is the IUPAC name of N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate?
The IUPAC name of N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate (CID 57349583) is N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate.
What is the SMILES notation for N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate?
The canonical SMILES for N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate is CCN(C(=O)[O-])c1cc(NC(c2ccccc2)c2ccccc2)c(N)c(N)n1.
What is the InChIKey of N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate?
The InChIKey is JAPUCOVRGISXLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H23N5O2/c1-2-26(21(27)28)17-13-16(18(22)20(23)25-17)24-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19H,2,22H2,1H3,(H,27,28)(H3,23,24,25)/p-1.
What are the key properties of N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate?
N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate has a molecular weight of 376.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate is sourced from PubChem (CID 57349583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).