N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide

C23H26N4O2 — CID 158977101

IUPACN-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)C[C@H]2C[C@@H]2C)cc([C@@H](C)c2cncc3c2ccn3C)n1
InChIInChI=1S/C23H26N4O2/c1-13-7-15(13)10-22(28)16-8-19(26-20(9-16)23(29)24-3)14(2)18-11-25-12-21-17(18)5-6-27(21)4/h5-6,8-9,11-15H,7,10H2,1-4H3,(H,24,29)/t13-,14-,15+/m0/s1
InChIKeyJONJUAZBUSYLJY-SOUVJXGZSA-N
MW390.49 g/mol
LogP3.71
Rot. Bonds6

About N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide

N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 158977101) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide
PubChem CID158977101
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)C[C@H]2C[C@@H]2C)cc([C@@H](C)c2cncc3c2ccn3C)n1
InChIInChI=1S/C23H26N4O2/c1-13-7-15(13)10-22(28)16-8-19(26-20(9-16)23(29)24-3)14(2)18-11-25-12-21-17(18)5-6-27(21)4/h5-6,8-9,11-15H,7,10H2,1-4H3,(H,24,29)/t13-,14-,15+/m0/s1
InChIKeyJONJUAZBUSYLJY-SOUVJXGZSA-N
XLogP3.71
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide (CID 158977101) is N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide is CNC(=O)c1cc(C(=O)C[C@H]2C[C@@H]2C)cc([C@@H](C)c2cncc3c2ccn3C)n1.
What is the InChIKey of N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is JONJUAZBUSYLJY-SOUVJXGZSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-13-7-15(13)10-22(28)16-8-19(26-20(9-16)23(29)24-3)14(2)18-11-25-12-21-17(18)5-6-27(21)4/h5-6,8-9,11-15H,7,10H2,1-4H3,(H,24,29)/t13-,14-,15+/m0/s1.
What are the key properties of N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide?
N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 158977101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).