5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide

C18H20ClN3O — CID 166226046

IUPAC5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
SMILESCC(C)c1ccc2c(c1)C(Nc1ncc(C(N)=O)cc1Cl)CC2
InChIInChI=1S/C18H20ClN3O/c1-10(2)12-4-3-11-5-6-16(14(11)7-12)22-18-15(19)8-13(9-21-18)17(20)23/h3-4,7-10,16H,5-6H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyBVGJZWBGOZELQZ-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.06
Rot. Bonds4

About 5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide

5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide (PubChem CID 166226046) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
PubChem CID166226046
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
SMILESCC(C)c1ccc2c(c1)C(Nc1ncc(C(N)=O)cc1Cl)CC2
InChIInChI=1S/C18H20ClN3O/c1-10(2)12-4-3-11-5-6-16(14(11)7-12)22-18-15(19)8-13(9-21-18)17(20)23/h3-4,7-10,16H,5-6H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyBVGJZWBGOZELQZ-UHFFFAOYSA-N
XLogP4.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide (CID 166226046) is 5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide is CC(C)c1ccc2c(c1)C(Nc1ncc(C(N)=O)cc1Cl)CC2.
What is the InChIKey of 5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide?
The InChIKey is BVGJZWBGOZELQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-10(2)12-4-3-11-5-6-16(14(11)7-12)22-18-15(19)8-13(9-21-18)17(20)23/h3-4,7-10,16H,5-6H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide?
5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 166226046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).