N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide

C20H23N5O2 — CID 126440751

IUPACN-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide
SMILESCN(CCNc1cc([C@@H]2CCOC2)ncn1)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H23N5O2/c1-25(20(26)15-2-3-17-14(10-15)4-6-21-17)8-7-22-19-11-18(23-13-24-19)16-5-9-27-12-16/h2-4,6,10-11,13,16,21H,5,7-9,12H2,1H3,(H,22,23,24)/t16-/m1/s1
InChIKeyVZQNLIJIGTUWHX-MRXNPFEDSA-N
MW365.44 g/mol
LogP2.65
Rot. Bonds6

About N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide

N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide (PubChem CID 126440751) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide
PubChem CID126440751
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide
SMILESCN(CCNc1cc([C@@H]2CCOC2)ncn1)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H23N5O2/c1-25(20(26)15-2-3-17-14(10-15)4-6-21-17)8-7-22-19-11-18(23-13-24-19)16-5-9-27-12-16/h2-4,6,10-11,13,16,21H,5,7-9,12H2,1H3,(H,22,23,24)/t16-/m1/s1
InChIKeyVZQNLIJIGTUWHX-MRXNPFEDSA-N
XLogP2.65
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide (CID 126440751) is N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide is CN(CCNc1cc([C@@H]2CCOC2)ncn1)C(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide?
The InChIKey is VZQNLIJIGTUWHX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-25(20(26)15-2-3-17-14(10-15)4-6-21-17)8-7-22-19-11-18(23-13-24-19)16-5-9-27-12-16/h2-4,6,10-11,13,16,21H,5,7-9,12H2,1H3,(H,22,23,24)/t16-/m1/s1.
What are the key properties of N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide?
N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 126440751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).