N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide

C18H24N4O2 — CID 95790554

IUPACN,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCC1CCN(C(=O)c2cnc3cc(C(=O)N(C)C)n(C)c3c2)CC1
InChIInChI=1S/C18H24N4O2/c1-12-5-7-22(8-6-12)17(23)13-9-15-14(19-11-13)10-16(21(15)4)18(24)20(2)3/h9-12H,5-8H2,1-4H3
InChIKeyRJLJCJWTSLIFQX-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.15
Rot. Bonds2

About N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide

N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 95790554) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID95790554
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCC1CCN(C(=O)c2cnc3cc(C(=O)N(C)C)n(C)c3c2)CC1
InChIInChI=1S/C18H24N4O2/c1-12-5-7-22(8-6-12)17(23)13-9-15-14(19-11-13)10-16(21(15)4)18(24)20(2)3/h9-12H,5-8H2,1-4H3
InChIKeyRJLJCJWTSLIFQX-UHFFFAOYSA-N
XLogP2.15
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide (CID 95790554) is N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide is CC1CCN(C(=O)c2cnc3cc(C(=O)N(C)C)n(C)c3c2)CC1.
What is the InChIKey of N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is RJLJCJWTSLIFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-5-7-22(8-6-12)17(23)13-9-15-14(19-11-13)10-16(21(15)4)18(24)20(2)3/h9-12H,5-8H2,1-4H3.
What are the key properties of N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide?
N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 95790554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).