N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C19H14ClN5O — CID 121412004

IUPACN-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(Cl)cn2)ccn1
InChIInChI=1S/C19H14ClN5O/c1-11(26)24-16-9-12(6-8-21-16)18-17(14-5-4-13(20)10-23-14)19-15(25-18)3-2-7-22-19/h2-10,25H,1H3,(H,21,24,26)
InChIKeyVCVRXCQLVOMSMK-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.30
Rot. Bonds3

About N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121412004) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID121412004
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC NameN-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(Cl)cn2)ccn1
InChIInChI=1S/C19H14ClN5O/c1-11(26)24-16-9-12(6-8-21-16)18-17(14-5-4-13(20)10-23-14)19-15(25-18)3-2-7-22-19/h2-10,25H,1H3,(H,21,24,26)
InChIKeyVCVRXCQLVOMSMK-UHFFFAOYSA-N
XLogP4.30
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121412004) is N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(Cl)cn2)ccn1.
What is the InChIKey of N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is VCVRXCQLVOMSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-11(26)24-16-9-12(6-8-21-16)18-17(14-5-4-13(20)10-23-14)19-15(25-18)3-2-7-22-19/h2-10,25H,1H3,(H,21,24,26).
What are the key properties of N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 363.81 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(5-chloro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121412004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).