N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide

C19H20N4O2 — CID 164564847

IUPACN-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide
SMILESCc1cc(-c2cc3cnc(NC(=O)C4CCCOC4)cc3[nH]2)ccn1
InChIInChI=1S/C19H20N4O2/c1-12-7-13(4-5-20-12)16-8-15-10-21-18(9-17(15)22-16)23-19(24)14-3-2-6-25-11-14/h4-5,7-10,14,22H,2-3,6,11H2,1H3,(H,21,23,24)
InChIKeyXUSMFVYRARQWFP-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.30
Rot. Bonds3

About N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide

N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide (PubChem CID 164564847) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide
PubChem CID164564847
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide
SMILESCc1cc(-c2cc3cnc(NC(=O)C4CCCOC4)cc3[nH]2)ccn1
InChIInChI=1S/C19H20N4O2/c1-12-7-13(4-5-20-12)16-8-15-10-21-18(9-17(15)22-16)23-19(24)14-3-2-6-25-11-14/h4-5,7-10,14,22H,2-3,6,11H2,1H3,(H,21,23,24)
InChIKeyXUSMFVYRARQWFP-UHFFFAOYSA-N
XLogP3.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 169097630
2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 164564817
2-(2-methyl-4-pyridinyl)-N-(oxetan-3-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 169097942
N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide
CID 164564726
N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097673
iron;N-[2-(2-methanidylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 171432742
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxolane-3-carboxamide
CID 138989340
N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097714
N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide
CID 122158768
3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide
CID 164564792
N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097851
N-[4-methyl-2-(trifluoromethyl)-3-pyridinyl]oxane-3-carboxamide
CID 138013636

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide (CID 164564847) is N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide is Cc1cc(-c2cc3cnc(NC(=O)C4CCCOC4)cc3[nH]2)ccn1.
What is the InChIKey of N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide?
The InChIKey is XUSMFVYRARQWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-7-13(4-5-20-12)16-8-15-10-21-18(9-17(15)22-16)23-19(24)14-3-2-6-25-11-14/h4-5,7-10,14,22H,2-3,6,11H2,1H3,(H,21,23,24).
What are the key properties of N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide?
N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide is sourced from PubChem (CID 164564847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).