N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide

C14H18N4O — CID 178055563

IUPACN-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide
SMILESCCN1CCCC1c1cc2cnc(NC=O)cc2[nH]1
InChIInChI=1S/C14H18N4O/c1-2-18-5-3-4-13(18)12-6-10-8-15-14(16-9-19)7-11(10)17-12/h6-9,13,17H,2-5H2,1H3,(H,15,16,19)
InChIKeyOVSVLWVWQLUDLB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.29
Rot. Bonds4

About N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide

N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide (PubChem CID 178055563) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide.

Molecular Properties

Compound NameN-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide
PubChem CID178055563
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide
SMILESCCN1CCCC1c1cc2cnc(NC=O)cc2[nH]1
InChIInChI=1S/C14H18N4O/c1-2-18-5-3-4-13(18)12-6-10-8-15-14(16-9-19)7-11(10)17-12/h6-9,13,17H,2-5H2,1H3,(H,15,16,19)
InChIKeyOVSVLWVWQLUDLB-UHFFFAOYSA-N
XLogP2.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide?
The IUPAC name of N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide (CID 178055563) is N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide.
What is the SMILES notation for N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide?
The canonical SMILES for N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide is CCN1CCCC1c1cc2cnc(NC=O)cc2[nH]1.
What is the InChIKey of N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide?
The InChIKey is OVSVLWVWQLUDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-18-5-3-4-13(18)12-6-10-8-15-14(16-9-19)7-11(10)17-12/h6-9,13,17H,2-5H2,1H3,(H,15,16,19).
What are the key properties of N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide?
N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide has a molecular weight of 258.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide is sourced from PubChem (CID 178055563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).