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

C16H18N4O — CID 58897100

IUPACN-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2ccnc3[nH]ccc23)c[nH]1
InChIInChI=1S/C16H18N4O/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)/t10-/m1/s1
InChIKeyOTLGHLGEPBPEPF-SNVBAGLBSA-N
MW282.35 g/mol
LogP3.09
Rot. Bonds4

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

N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 58897100) has the molecular formula C16H18N4O and a molecular weight of 282.35 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 Properties

Compound NameN-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID58897100
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2ccnc3[nH]ccc23)c[nH]1
InChIInChI=1S/C16H18N4O/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)/t10-/m1/s1
InChIKeyOTLGHLGEPBPEPF-SNVBAGLBSA-N
XLogP3.09
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.09
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?
The IUPAC name of N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide (CID 58897100) is N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide is CC[C@@H](C)NC(=O)c1cc(-c2ccnc3[nH]ccc23)c[nH]1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is OTLGHLGEPBPEPF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N4O/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)/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?
N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 3.09, 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 is sourced from PubChem (CID 58897100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).