N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane

C22H30N4O — CID 144889303

IUPACN-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane
SMILESCC.CC.CC(=O)Nc1cc(-c2cnc3ccn(CC4CC4)c3c2)ccn1
InChIInChI=1S/C18H18N4O.2C2H6/c1-12(23)21-18-9-14(4-6-19-18)15-8-17-16(20-10-15)5-7-22(17)11-13-2-3-13;2*1-2/h4-10,13H,2-3,11H2,1H3,(H,19,21,23);2*1-2H3
InChIKeyMPQMPLBCLHVQBZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.52
Rot. Bonds4

About N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane

N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane (PubChem CID 144889303) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane.

Molecular Properties

Compound NameN-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane
PubChem CID144889303
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane
SMILESCC.CC.CC(=O)Nc1cc(-c2cnc3ccn(CC4CC4)c3c2)ccn1
InChIInChI=1S/C18H18N4O.2C2H6/c1-12(23)21-18-9-14(4-6-19-18)15-8-17-16(20-10-15)5-7-22(17)11-13-2-3-13;2*1-2/h4-10,13H,2-3,11H2,1H3,(H,19,21,23);2*1-2H3
InChIKeyMPQMPLBCLHVQBZ-UHFFFAOYSA-N
XLogP5.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide
CID 134462843
5-[1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide
CID 118059761
N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118238035
4-[[6-(2-hydroxyethoxy)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 172581946
N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
CID 158101881
1-[(4,4-difluorocyclohexyl)methyl]-6-(1,5-dimethylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118059661
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2,5]thiadiazolo[3,4-b]pyridin-6-yl]-N-iodopyridin-2-amine
CID 126690562
1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridine-6-carboxylic acid
CID 67355433
2-(1-acetylpiperidin-4-yl)-N-(4-phenyl-2-pyridinyl)acetamide
CID 58442951
N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 123524378
(3R)-N-[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 90412986

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane?
The IUPAC name of N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane (CID 144889303) is N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane.
What is the SMILES notation for N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane?
The canonical SMILES for N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane is CC.CC.CC(=O)Nc1cc(-c2cnc3ccn(CC4CC4)c3c2)ccn1.
What is the InChIKey of N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane?
The InChIKey is MPQMPLBCLHVQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O.2C2H6/c1-12(23)21-18-9-14(4-6-19-18)15-8-17-16(20-10-15)5-7-22(17)11-13-2-3-13;2*1-2/h4-10,13H,2-3,11H2,1H3,(H,19,21,23);2*1-2H3.
What are the key properties of N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane?
N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane has a molecular weight of 366.51 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane is sourced from PubChem (CID 144889303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).