N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide

C18H18N4O — CID 46965776

IUPACN-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
SMILESO=C(CCn1c(-c2cccnc2)cc2cccnc21)NC1CC1
InChIInChI=1S/C18H18N4O/c23-17(21-15-5-6-15)7-10-22-16(14-4-1-8-19-12-14)11-13-3-2-9-20-18(13)22/h1-4,8-9,11-12,15H,5-7,10H2,(H,21,23)
InChIKeyKRWOWECBOYDAHU-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.77
Rot. Bonds5

About N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide

N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide (PubChem CID 46965776) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
PubChem CID46965776
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
SMILESO=C(CCn1c(-c2cccnc2)cc2cccnc21)NC1CC1
InChIInChI=1S/C18H18N4O/c23-17(21-15-5-6-15)7-10-22-16(14-4-1-8-19-12-14)11-13-3-2-9-20-18(13)22/h1-4,8-9,11-12,15H,5-7,10H2,(H,21,23)
InChIKeyKRWOWECBOYDAHU-UHFFFAOYSA-N
XLogP2.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide (CID 46965776) is N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide is O=C(CCn1c(-c2cccnc2)cc2cccnc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide?
The InChIKey is KRWOWECBOYDAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-17(21-15-5-6-15)7-10-22-16(14-4-1-8-19-12-14)11-13-3-2-9-20-18(13)22/h1-4,8-9,11-12,15H,5-7,10H2,(H,21,23).
What are the key properties of N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide?
N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide has a molecular weight of 306.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide is sourced from PubChem (CID 46965776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).