N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide

C18H14Cl2N6O — CID 139308583

IUPACN-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide
SMILESO=C(/N=c1\ncn(Cc2c(Cl)cccc2Cl)c2c1NCN2)c1ccccn1
InChIInChI=1S/C18H14Cl2N6O/c19-12-4-3-5-13(20)11(12)8-26-10-24-16(15-17(26)23-9-22-15)25-18(27)14-6-1-2-7-21-14/h1-7,10,22-23H,8-9H2/b25-16-
InChIKeyDGORMZMVNFGGBJ-XYGWBWBKSA-N
MW401.26 g/mol
LogP3.17
Rot. Bonds3

About N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide

N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide (PubChem CID 139308583) has the molecular formula C18H14Cl2N6O and a molecular weight of 401.26 g/mol. Its IUPAC name is N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide
PubChem CID139308583
Molecular FormulaC18H14Cl2N6O
Molecular Weight401.26 g/mol
Exact Mass400.06
IUPAC NameN-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide
SMILESO=C(/N=c1\ncn(Cc2c(Cl)cccc2Cl)c2c1NCN2)c1ccccn1
InChIInChI=1S/C18H14Cl2N6O/c19-12-4-3-5-13(20)11(12)8-26-10-24-16(15-17(26)23-9-22-15)25-18(27)14-6-1-2-7-21-14/h1-7,10,22-23H,8-9H2/b25-16-
InChIKeyDGORMZMVNFGGBJ-XYGWBWBKSA-N
XLogP3.17
TPSA84.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine
CID 138740842
N'-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboximidamide
CID 3562027
N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740717
3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685639
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688
N'-(2,6-dichlorophenyl)pyridine-2-carbohydrazide
CID 127034375
2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine
CID 138740815
(2-amino-6-chlorophenyl)-pyridin-2-ylmethanone
CID 118847428
(2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone
CID 118802407
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 119099474
3-[(2,6-dichlorophenyl)methyl]-8-methyl-7H-purin-6-imine
CID 138740655
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide (CID 139308583) is N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide is O=C(/N=c1\ncn(Cc2c(Cl)cccc2Cl)c2c1NCN2)c1ccccn1.
What is the InChIKey of N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide?
The InChIKey is DGORMZMVNFGGBJ-XYGWBWBKSA-N. The full InChI is InChI=1S/C18H14Cl2N6O/c19-12-4-3-5-13(20)11(12)8-26-10-24-16(15-17(26)23-9-22-15)25-18(27)14-6-1-2-7-21-14/h1-7,10,22-23H,8-9H2/b25-16-.
What are the key properties of N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide?
N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide is sourced from PubChem (CID 139308583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).