N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide

C19H19N5O2 — CID 139412611

IUPACN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cc(C)ncn2)no1
InChIInChI=1S/C19H19N5O2/c1-3-17-23-18(24-26-17)13-4-6-14-12(9-13)5-7-15(14)22-19(25)16-8-11(2)20-10-21-16/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyCWOHIECGBQOJHA-OAHLLOKOSA-N
MW349.39 g/mol
LogP2.81
Rot. Bonds4

About N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide (PubChem CID 139412611) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide
PubChem CID139412611
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cc(C)ncn2)no1
InChIInChI=1S/C19H19N5O2/c1-3-17-23-18(24-26-17)13-4-6-14-12(9-13)5-7-15(14)22-19(25)16-8-11(2)20-10-21-16/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyCWOHIECGBQOJHA-OAHLLOKOSA-N
XLogP2.81
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide (CID 139412611) is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide is CCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cc(C)ncn2)no1.
What is the InChIKey of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is CWOHIECGBQOJHA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-3-17-23-18(24-26-17)13-4-6-14-12(9-13)5-7-15(14)22-19(25)16-8-11(2)20-10-21-16/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide?
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 139412611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).