5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide

C21H20N6O2 — CID 71235837

IUPAC5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccc(CO)cn4)n3)ccc2[nH]1
InChIInChI=1S/C21H20N6O2/c1-27(2)20(29)19-10-14-9-15(4-6-16(14)25-19)24-21-22-8-7-18(26-21)17-5-3-13(12-28)11-23-17/h3-11,25,28H,12H2,1-2H3,(H,22,24,26)
InChIKeyGBTUSJNYPFASFH-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.96
Rot. Bonds5

About 5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide

5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 71235837) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID71235837
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccc(CO)cn4)n3)ccc2[nH]1
InChIInChI=1S/C21H20N6O2/c1-27(2)20(29)19-10-14-9-15(4-6-16(14)25-19)24-21-22-8-7-18(26-21)17-5-3-13(12-28)11-23-17/h3-11,25,28H,12H2,1-2H3,(H,22,24,26)
InChIKeyGBTUSJNYPFASFH-UHFFFAOYSA-N
XLogP2.96
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide (CID 71235837) is 5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccc(CO)cn4)n3)ccc2[nH]1.
What is the InChIKey of 5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is GBTUSJNYPFASFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-27(2)20(29)19-10-14-9-15(4-6-16(14)25-19)24-21-22-8-7-18(26-21)17-5-3-13(12-28)11-23-17/h3-11,25,28H,12H2,1-2H3,(H,22,24,26).
What are the key properties of 5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[5-(hydroxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 71235837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).