N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide

C19H24N4O — CID 10426426

IUPACN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESC=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c2cccnc21
InChIInChI=1S/C19H24N4O/c1-3-9-23-12-17(16-5-4-8-20-18(16)23)19(24)21-13-10-14-6-7-15(11-13)22(14)2/h3-5,8,12-15H,1,6-7,9-11H2,2H3,(H,21,24)/t13?,14-,15+
InChIKeyMWRKIMHOQJQONW-GOOCMWNKSA-N
MW324.43 g/mol
LogP2.58
Rot. Bonds4

About N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide

N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 10426426) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID10426426
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESC=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c2cccnc21
InChIInChI=1S/C19H24N4O/c1-3-9-23-12-17(16-5-4-8-20-18(16)23)19(24)21-13-10-14-6-7-15(11-13)22(14)2/h3-5,8,12-15H,1,6-7,9-11H2,2H3,(H,21,24)/t13?,14-,15+
InChIKeyMWRKIMHOQJQONW-GOOCMWNKSA-N
XLogP2.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
2-(4-{6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-7-methyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
6-(dimethylamino)-4-((methylamino)methyl)-2-(6-(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-1H,2H,3H-pyrrolo(3,4-c)pyridin-1-one
CID 146572046
2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879
2-(2-aminopyrimidin-4-yl)-1-propyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585151
2-(2-aminopyrimidin-4-yl)-1-butyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585152
2-(2-aminopyrimidin-4-yl)-1-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585200
2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585248
2-(2-aminopyrimidin-4-yl)-1-benzyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190899
N-{4-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-2-Yl}-N'-(2,4-Difluorophenyl)urea
CID 68904737
2-[(1-methylpiperidin-4-yl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962854
4-[(7S)-4-amino-6-methylidene-7-(prop-2-enoylamino)-7,8-dihydropyrimido[5,4-b]pyrrolizin-5-yl]-N-pyridin-2-ylbenzamide
CID 145968683

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 10426426) is N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide is C=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c2cccnc21.
What is the InChIKey of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is MWRKIMHOQJQONW-GOOCMWNKSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-9-23-12-17(16-5-4-8-20-18(16)23)19(24)21-13-10-14-6-7-15(11-13)22(14)2/h3-5,8,12-15H,1,6-7,9-11H2,2H3,(H,21,24)/t13?,14-,15+.
What are the key properties of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 10426426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).