N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide

C23H21ClN4O2 — CID 86686005

IUPACN-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCc1cncc(N2C(=O)c3ccc(Cl)cc3C2(C)C)c1
InChIInChI=1S/C23H21ClN4O2/c1-14-5-4-8-26-20(14)21(29)27-12-15-9-17(13-25-11-15)28-22(30)18-7-6-16(24)10-19(18)23(28,2)3/h4-11,13H,12H2,1-3H3,(H,27,29)
InChIKeyWLYUZPKEGSYGKQ-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.26
Rot. Bonds4

About N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide

N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide (PubChem CID 86686005) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide
PubChem CID86686005
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCc1cncc(N2C(=O)c3ccc(Cl)cc3C2(C)C)c1
InChIInChI=1S/C23H21ClN4O2/c1-14-5-4-8-26-20(14)21(29)27-12-15-9-17(13-25-11-15)28-22(30)18-7-6-16(24)10-19(18)23(28,2)3/h4-11,13H,12H2,1-3H3,(H,27,29)
InChIKeyWLYUZPKEGSYGKQ-UHFFFAOYSA-N
XLogP4.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide (CID 86686005) is N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCc1cncc(N2C(=O)c3ccc(Cl)cc3C2(C)C)c1.
What is the InChIKey of N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide?
The InChIKey is WLYUZPKEGSYGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-14-5-4-8-26-20(14)21(29)27-12-15-9-17(13-25-11-15)28-22(30)18-7-6-16(24)10-19(18)23(28,2)3/h4-11,13H,12H2,1-3H3,(H,27,29).
What are the key properties of N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide?
N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]methyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 86686005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).