N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide

C22H28N4O — CID 117094210

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide
SMILESCC(C)N(CCNC(=O)c1cncc(-c2ccc3[nH]ccc3c2)c1)C(C)C
InChIInChI=1S/C22H28N4O/c1-15(2)26(16(3)4)10-9-25-22(27)20-12-19(13-23-14-20)17-5-6-21-18(11-17)7-8-24-21/h5-8,11-16,24H,9-10H2,1-4H3,(H,25,27)
InChIKeyRWNNBLJJJKORTQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.08
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide (PubChem CID 117094210) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide
PubChem CID117094210
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide
SMILESCC(C)N(CCNC(=O)c1cncc(-c2ccc3[nH]ccc3c2)c1)C(C)C
InChIInChI=1S/C22H28N4O/c1-15(2)26(16(3)4)10-9-25-22(27)20-12-19(13-23-14-20)17-5-6-21-18(11-17)7-8-24-21/h5-8,11-16,24H,9-10H2,1-4H3,(H,25,27)
InChIKeyRWNNBLJJJKORTQ-UHFFFAOYSA-N
XLogP4.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide (CID 117094210) is N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide is CC(C)N(CCNC(=O)c1cncc(-c2ccc3[nH]ccc3c2)c1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide?
The InChIKey is RWNNBLJJJKORTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-15(2)26(16(3)4)10-9-25-22(27)20-12-19(13-23-14-20)17-5-6-21-18(11-17)7-8-24-21/h5-8,11-16,24H,9-10H2,1-4H3,(H,25,27).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-5-(1H-indol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 117094210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).