6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide

C20H22ClN7O2 — CID 135386077

IUPAC6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2ccc3c(c2)n(C)c(=O)n3C)c(C#N)c(Cl)n1
InChIInChI=1S/C20H22ClN7O2/c1-26(2)8-7-23-19(29)15-10-14(13(11-22)18(21)25-15)24-12-5-6-16-17(9-12)28(4)20(30)27(16)3/h5-6,9-10H,7-8H2,1-4H3,(H,23,29)(H,24,25)
InChIKeyGASXNGUJPPDXOG-UHFFFAOYSA-N
MW427.90 g/mol
LogP1.83
Rot. Bonds6

About 6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide

6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide (PubChem CID 135386077) has the molecular formula C20H22ClN7O2 and a molecular weight of 427.90 g/mol. Its IUPAC name is 6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide
PubChem CID135386077
Molecular FormulaC20H22ClN7O2
Molecular Weight427.90 g/mol
Exact Mass427.15
IUPAC Name6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2ccc3c(c2)n(C)c(=O)n3C)c(C#N)c(Cl)n1
InChIInChI=1S/C20H22ClN7O2/c1-26(2)8-7-23-19(29)15-10-14(13(11-22)18(21)25-15)24-12-5-6-16-17(9-12)28(4)20(30)27(16)3/h5-6,9-10H,7-8H2,1-4H3,(H,23,29)(H,24,25)
InChIKeyGASXNGUJPPDXOG-UHFFFAOYSA-N
XLogP1.83
TPSA107.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide with MolForge

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Related Compounds

US11161839, Example 7c
CID 135385589
US11161839, Example 5
CID 135385647
US12110286, Example 2b
CID 135385993
US12110286, Example 1b
CID 135386016
US12110286, Example 7b
CID 135386052
US12110286, Example 7a
CID 135386373
US12110286, Example 19a
CID 135386389
US12110286, Example 2a
CID 135386728
US12110286, Example 7c
CID 135386739
US12110286, Example 36e
CID 135386751
US12110286, Example 1c
CID 135386853
US12110286, Example 3a
CID 135386917

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide (CID 135386077) is 6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide is CN(C)CCNC(=O)c1cc(Nc2ccc3c(c2)n(C)c(=O)n3C)c(C#N)c(Cl)n1.
What is the InChIKey of 6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide?
The InChIKey is GASXNGUJPPDXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O2/c1-26(2)8-7-23-19(29)15-10-14(13(11-22)18(21)25-15)24-12-5-6-16-17(9-12)28(4)20(30)27(16)3/h5-6,9-10H,7-8H2,1-4H3,(H,23,29)(H,24,25).
What are the key properties of 6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide?
6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide has a molecular weight of 427.90 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-cyano-N-[2-(dimethylamino)ethyl]-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 135386077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).