molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide

C18H18N4O — CID 160888789

IUPACmolecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2ccnc3[nH]ccc23)c[nH]1.[H][H].[H][H]
InChIInChI=1S/C18H14N4O.2H2/c23-18(22-13-4-2-1-3-5-13)16-10-12(11-21-16)14-6-8-19-17-15(14)7-9-20-17;;/h1-11,21H,(H,19,20)(H,22,23);2*1H
InChIKeySNZHHTDDWZWIMY-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.30
Rot. Bonds3

About molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide

molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 160888789) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Namemolecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID160888789
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Namemolecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2ccnc3[nH]ccc23)c[nH]1.[H][H].[H][H]
InChIInChI=1S/C18H14N4O.2H2/c23-18(22-13-4-2-1-3-5-13)16-10-12(11-21-16)14-6-8-19-17-15(14)7-9-20-17;;/h1-11,21H,(H,19,20)(H,22,23);2*1H
InChIKeySNZHHTDDWZWIMY-UHFFFAOYSA-N
XLogP4.30
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen
CID 158923245
N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
CID 58897100
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
CID 58897072
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807775
2-(dimethylamino)-3-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
CID 176840685
2-amino-3-hydroxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
CID 175833948
molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 160642288
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide
CID 172686672
1-[4-[1-(1,2-dihydroxyethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-phenylurea
CID 58980009

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide (CID 160888789) is molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccccc1)c1cc(-c2ccnc3[nH]ccc23)c[nH]1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is SNZHHTDDWZWIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O.2H2/c23-18(22-13-4-2-1-3-5-13)16-10-12(11-21-16)14-6-8-19-17-15(14)7-9-20-17;;/h1-11,21H,(H,19,20)(H,22,23);2*1H.
What are the key properties of molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide?
molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 160888789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).