N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide

C19H28N4O — CID 10991087

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide
SMILESCCCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C19H28N4O/c1-3-4-5-6-18(24)21-17-8-7-16-19(22-17)15(13-20-16)14-9-11-23(2)12-10-14/h7-8,13-14,20H,3-6,9-12H2,1-2H3,(H,21,22,24)
InChIKeyOYFCPNQKSRRLHS-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.89
Rot. Bonds6

About N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide

N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide (PubChem CID 10991087) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide
PubChem CID10991087
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide
SMILESCCCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C19H28N4O/c1-3-4-5-6-18(24)21-17-8-7-16-19(22-17)15(13-20-16)14-9-11-23(2)12-10-14/h7-8,13-14,20H,3-6,9-12H2,1-2H3,(H,21,22,24)
InChIKeyOYFCPNQKSRRLHS-UHFFFAOYSA-N
XLogP3.89
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide (CID 10991087) is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide is CCCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide?
The InChIKey is OYFCPNQKSRRLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-4-5-6-18(24)21-17-8-7-16-19(22-17)15(13-20-16)14-9-11-23(2)12-10-14/h7-8,13-14,20H,3-6,9-12H2,1-2H3,(H,21,22,24).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide?
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide has a molecular weight of 328.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hexanamide is sourced from PubChem (CID 10991087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).