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

C16H22N4O — CID 158923245

IUPACN-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen
SMILESCC[C@@H](C)NC(=O)c1cc(-c2ccnc3[nH]ccc23)c[nH]1.[H][H].[H][H]
InChIInChI=1S/C16H18N4O.2H2/c1-3-10(2)20-16(21)14-8-11(9-19-14)12-4-6-17-15-13(12)5-7-18-15;;/h4-10,19H,3H2,1-2H3,(H,17,18)(H,20,21);2*1H/t10-;;/m1../s1
InChIKeyJICJTKWUSCPYAR-YQFADDPSSA-N
MW286.38 g/mol
LogP3.58
Rot. Bonds4

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

N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen (PubChem CID 158923245) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen
PubChem CID158923245
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen
SMILESCC[C@@H](C)NC(=O)c1cc(-c2ccnc3[nH]ccc23)c[nH]1.[H][H].[H][H]
InChIInChI=1S/C16H18N4O.2H2/c1-3-10(2)20-16(21)14-8-11(9-19-14)12-4-6-17-15-13(12)5-7-18-15;;/h4-10,19H,3H2,1-2H3,(H,17,18)(H,20,21);2*1H/t10-;;/m1../s1
InChIKeyJICJTKWUSCPYAR-YQFADDPSSA-N
XLogP3.58
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen?
The IUPAC name of N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen (CID 158923245) is N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen is CC[C@@H](C)NC(=O)c1cc(-c2ccnc3[nH]ccc23)c[nH]1.[H][H].[H][H].
What is the InChIKey of N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen?
The InChIKey is JICJTKWUSCPYAR-YQFADDPSSA-N. The full InChI is InChI=1S/C16H18N4O.2H2/c1-3-10(2)20-16(21)14-8-11(9-19-14)12-4-6-17-15-13(12)5-7-18-15;;/h4-10,19H,3H2,1-2H3,(H,17,18)(H,20,21);2*1H/t10-;;/m1../s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen?
N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen has a molecular weight of 286.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 158923245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).