N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide

C14H20N4O — CID 161375684

IUPACN-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCN(C)CCCCNC(=O)C1=CN=C2N=CC=C2C1
InChIInChI=1S/C14H20N4O/c1-18(2)8-4-3-6-16-14(19)12-9-11-5-7-15-13(11)17-10-12/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,16,19)
InChIKeyVRAXFBGMOGKQMS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.14
Rot. Bonds6

About N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 161375684) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID161375684
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCN(C)CCCCNC(=O)C1=CN=C2N=CC=C2C1
InChIInChI=1S/C14H20N4O/c1-18(2)8-4-3-6-16-14(19)12-9-11-5-7-15-13(11)17-10-12/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,16,19)
InChIKeyVRAXFBGMOGKQMS-UHFFFAOYSA-N
XLogP1.14
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67203949
N-(2-hydroxyethyl)-4H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 141297998
N-ethyl-7H-imidazo[4,5-b]pyridine-6-carboxamide
CID 150267600

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 161375684) is N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide is CN(C)CCCCNC(=O)C1=CN=C2N=CC=C2C1.
What is the InChIKey of N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is VRAXFBGMOGKQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18(2)8-4-3-6-16-14(19)12-9-11-5-7-15-13(11)17-10-12/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-4H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 161375684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).