1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C17H16Cl2N4O — CID 110169313

IUPAC1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)(C)n1cc(C(=O)Nc2c(Cl)cncc2Cl)c2cccnc21
InChIInChI=1S/C17H16Cl2N4O/c1-17(2,3)23-9-11(10-5-4-6-21-15(10)23)16(24)22-14-12(18)7-20-8-13(14)19/h4-9H,1-3H3,(H,20,22,24)
InChIKeyOWPIXDTWLXPIBO-UHFFFAOYSA-N
MW363.25 g/mol
LogP4.75
Rot. Bonds2

About 1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide

1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 110169313) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is 1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID110169313
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)(C)n1cc(C(=O)Nc2c(Cl)cncc2Cl)c2cccnc21
InChIInChI=1S/C17H16Cl2N4O/c1-17(2,3)23-9-11(10-5-4-6-21-15(10)23)16(24)22-14-12(18)7-20-8-13(14)19/h4-9H,1-3H3,(H,20,22,24)
InChIKeyOWPIXDTWLXPIBO-UHFFFAOYSA-N
XLogP4.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-1-(4-methoxycyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 70240373
2-[1-(3-chloropropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide
CID 110169955
N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
CID 10206520
1-tert-butyl-N,N-bis(2-methoxyethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 95791438
N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162873
N-(3,5-dichloro-4-pyridinyl)-2-oxo-2-[1-[(2,3,5,6-tetradeuterio-4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 110170775
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
benzyl 4-[3-[(3,5-dichloro-4-pyridinyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]piperidine-1-carboxylate
CID 15908301
benzyl N-[4-[3-[(3,5-dichloro-4-pyridinyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]cyclohexyl]carbamate
CID 70239927
5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 66924514
N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 59829116
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 66482742

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 110169313) is 1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)(C)n1cc(C(=O)Nc2c(Cl)cncc2Cl)c2cccnc21.
What is the InChIKey of 1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is OWPIXDTWLXPIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c1-17(2,3)23-9-11(10-5-4-6-21-15(10)23)16(24)22-14-12(18)7-20-8-13(14)19/h4-9H,1-3H3,(H,20,22,24).
What are the key properties of 1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 363.25 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(3,5-dichloro-4-pyridinyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 110169313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).