2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide

C25H28N6O — CID 155564759

IUPAC2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1cnc(Nc2cccc(C(C)(C)C)n2)nc1
InChIInChI=1S/C25H28N6O/c1-16-18(19-8-5-6-9-20(19)29-16)12-13-26-23(32)17-14-27-24(28-15-17)31-22-11-7-10-21(30-22)25(2,3)4/h5-11,14-15,29H,12-13H2,1-4H3,(H,26,32)(H,27,28,30,31)
InChIKeyDWTRLLIDPYUQKV-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.67
Rot. Bonds6

About 2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide

2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 155564759) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID155564759
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1cnc(Nc2cccc(C(C)(C)C)n2)nc1
InChIInChI=1S/C25H28N6O/c1-16-18(19-8-5-6-9-20(19)29-16)12-13-26-23(32)17-14-27-24(28-15-17)31-22-11-7-10-21(30-22)25(2,3)4/h5-11,14-15,29H,12-13H2,1-4H3,(H,26,32)(H,27,28,30,31)
InChIKeyDWTRLLIDPYUQKV-UHFFFAOYSA-N
XLogP4.67
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (CID 155564759) is 2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1cnc(Nc2cccc(C(C)(C)C)n2)nc1.
What is the InChIKey of 2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is DWTRLLIDPYUQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-16-18(19-8-5-6-9-20(19)29-16)12-13-26-23(32)17-14-27-24(28-15-17)31-22-11-7-10-21(30-22)25(2,3)4/h5-11,14-15,29H,12-13H2,1-4H3,(H,26,32)(H,27,28,30,31).
What are the key properties of 2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-tert-butyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155564759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).